2024-08-30

This is PMA's DBGI daily open-notebook.

Today is 2024.08.30

Todo today

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Notes

rder='Lamiales', family='Lamiaceae', tribe=nan, genus='Scutellaria', species='Scutellaria albida', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q62116486', reference_doi='10.1016/J.PHYTOCHEM.2007.04.014', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q419340', structure_inchikey='DLRJIFUOBPOJNS-UHFFFAOYSA-N', structure_inchi='InChI=1S/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3', structure_smiles='CCOc1ccccc1', structure_molecular_formula='C8H10O', structure_exact_mass=122.07316494, structure_xlogp=2.0853, structure_smiles_2d='CCOc1ccccc1', structure_cid=7674.0, structure_name_iupac='ethoxybenzene', structure_name_traditional='Phenetole', structure_stereocenters_total=0, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Shikimates and Phenylpropanoids', structure_taxonomy_npclassifier_02superclass=nan, structure_taxonomy_npclassifier_03class=nan, structure_taxonomy_classyfire_chemontid=2341.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Benzenoids', structure_taxonomy_classyfire_03class='Phenol ethers', structure_taxonomy_classyfire_04directparent='Phenol ethers', organism_wikidata='http://www.wikidata.org/entity/Q4115797', organism_name='Scutellaria barbata', organism_taxonomy_gbifid='5609933', organism_taxonomy_ncbiid=396367.0, organism_taxonomy_ottid=1093028.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Lamiaceae', tribe=nan, genus='Scutellaria', species='Scutellaria barbata', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q44842044', reference_doi='10.1016/J.PHYTOCHEM.2004.02.005', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q72470575', structure_inchikey='UYGBSRJODQHNLQ-UHFFFAOYSA-N', structure_inchi='InChI=1S/C9H10O2/c1-6-3-8(5-10)4-7(2)9(6)11/h3-5,11H,1-2H3', structure_smiles='Cc1cc(C=O)cc(C)c1O', structure_molecular_formula='C9H10O2', structure_exact_mass=150.06807956, structure_xlogp=1.82154, structure_smiles_2d='Cc1cc(C=O)cc(C)c1O', structure_cid=75222.0, structure_name_iupac='4-hydroxy-3,5-dimethylbenzaldehyde', structure_name_traditional='3,5-Dimethyl-4-hydroxybenzaldehyde', structure_stereocenters_total=0, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass=nan, structure_taxonomy_npclassifier_03class=nan, structure_taxonomy_classyfire_chemontid=3978.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Organic oxygen compounds', structure_taxonomy_classyfire_03class='Organooxygen compounds', structure_taxonomy_classyfire_04directparent='Hydroxybenzaldehydes', organism_wikidata='http://www.wikidata.org/entity/Q157078', organism_name='Linaria vulgaris', organism_taxonomy_gbifid='5415020', organism_taxonomy_ncbiid=43171.0, organism_taxonomy_ottid=989669.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Plantaginaceae', tribe='Antirrhineae', genus='Linaria', species='Linaria vulgaris', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q44174415', reference_doi='10.1248/CPB.50.1393', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q105264064', structure_inchikey='SZDUUCCXZRJZRL-NKWVEPMBSA-N', structure_inchi='InChI=1S/C9H12O3/c1-5-4-7(10)6-2-3-12-9(11)8(5)6/h6-7,10H,2-4H2,1H3/t6-,7+/m0/s1', structure_smiles='CC1=C2C(=O)OCC[C@H]2C@HC1', structure_molecular_formula='C9H12O3', structure_exact_mass=168.078644244, structure_xlogp=0.6306, structure_smiles_2d='CC1=C2C(=O)OCCC2C(O)C1', structure_cid=16104905.0, structure_name_iupac='(4aR,5R)-5-hydroxy-7-methyl-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-1-one', structure_name_traditional='(4aR,5R)-5-hydroxy-7-methyl-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-1-one', structure_stereocenters_total=2, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Monoterpenoids', structure_taxonomy_npclassifier_03class='Iridoids monoterpenoids', structure_taxonomy_classyfire_chemontid=1244.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Organoheterocyclic compounds', structure_taxonomy_classyfire_03class='Lactones', structure_taxonomy_classyfire_04directparent='Delta valerolactones', organism_wikidata='http://www.wikidata.org/entity/Q160095', organism_name='Verbascum thapsus', organism_taxonomy_gbifid='3171949', organism_taxonomy_ncbiid=39388.0, organism_taxonomy_ottid=35629.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Scrophulariaceae', tribe='Scrophularieae', genus='Verbascum', species='Verbascum thapsus', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q39528076', reference_doi='10.1007/S12272-011-0501-9', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q104667377', structure_inchikey='WFHXHIBUHFQKJH-ZZXKWVIFSA-N', structure_inchi='InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1,3-7,10H,2H2,(H,11,12)/b6-3+', structure_smiles='O=C(O)/C=C/C1C=CC(O)=CC1', structure_molecular_formula='C9H10O3', structure_exact_mass=166.06299418, structure_xlogp=1.6452, structure_smiles_2d='O=C(O)C=CC1C=CC(O)=CC1', structure_cid=17928043.0, structure_name_iupac='(E)-3-(4-hydroxycyclohexa-2,4-dien-1-yl)prop-2-enoic acid', structure_name_traditional='(E)-3-(4-hydroxycyclohexa-2,4-dien-1-yl)prop-2-enoic acid', structure_stereocenters_total=1, structure_stereocenters_unspecified=1, structure_taxonomy_npclassifier_01pathway=nan, structure_taxonomy_npclassifier_02superclass=nan, structure_taxonomy_npclassifier_03class=nan, structure_taxonomy_classyfire_chemontid=1205.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Organic acids and derivatives', structure_taxonomy_classyfire_03class='Carboxylic acids and derivatives', structure_taxonomy_classyfire_04directparent='Carboxylic acids', organism_wikidata='http://www.wikidata.org/entity/Q37083', organism_name='Olea europaea', organism_taxonomy_gbifid='5415040', organism_taxonomy_ncbiid=4146.0, organism_taxonomy_ottid=23729.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Oleaceae', tribe='Oleeae', genus='Olea', species='Olea europaea', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q104956490', reference_doi='10.1016/B978-0-12-374420-3.00099-1', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q27097143', structure_inchikey='VCGFYFKJZGIZMX-UHFFFAOYSA-N', structure_inchi='InChI=1S/C12H12O4/c1-7-9-3-2-8(14)6-11(9)16-12(15)10(7)4-5-13/h2-3,6,13-14H,4-5H2,1H3', structure_smiles='Cc1c(CCO)c(=O)oc2cc(O)ccc12', structure_molecular_formula='C12H12O4', structure_exact_mass=220.073558864, structure_xlogp=1.3418199999999996, structure_smiles_2d='Cc1c(CCO)c(=O)oc2cc(O)ccc12', structure_cid=5288573.0, structure_name_iupac='7-hydroxy-3-(2-hydroxyethyl)-4-methylchromen-2-one', structure_name_traditional='7-Hydroxy-4-methyl-3-(2-hydroxy-ethyl)coumarin', structure_stereocenters_total=0, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Shikimates and Phenylpropanoids', structure_taxonomy_npclassifier_02superclass='Coumarins', structure_taxonomy_npclassifier_03class='Simple coumarins', structure_taxonomy_classyfire_chemontid=2909.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Phenylpropanoids and polyketides', structure_taxonomy_classyfire_03class='Coumarins and derivatives', structure_taxonomy_classyfire_04directparent='7-hydroxycoumarins', organism_wikidata='http://www.wikidata.org/entity/Q960124', organism_name='Ocimum tenuiflorum', organism_taxonomy_gbifid='2927100', organism_taxonomy_ncbiid=204149.0, organism_taxonomy_ottid=782204.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Lamiaceae', tribe='Ocimeae', genus='Ocimum', species='Ocimum tenuiflorum', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q81237925', reference_doi='10.1021/NP0700164', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q181003', structure_inchikey='QIVBCDIJIAJPQS-VIFPVBQESA-N', structure_inchi='InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1', structure_smiles='NC@@HC(=O)O', structure_molecular_formula='C11H12N2O2', structure_exact_mass=204.089877624, structure_xlogp=1.1222999999999996, structure_smiles_2d='NC(Cc1c[nH]c2ccccc12)C(=O)O', structure_cid=6923516.0, structure_name_iupac='(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoate', structure_name_traditional='(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoate', structure_stereocenters_total=1, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Amino acids and Peptides', structure_taxonomy_npclassifier_02superclass='Small peptides', structure_taxonomy_npclassifier_03class='Aminoacids', structure_taxonomy_classyfire_chemontid=1290.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Organoheterocyclic compounds', structure_taxonomy_classyfire_03class='Indoles and derivatives', structure_taxonomy_classyfire_04directparent='Indolyl carboxylic acids and derivatives', organism_wikidata='http://www.wikidata.org/entity/Q53470', organism_name='Scrophularia', organism_taxonomy_gbifid='3170861', organism_taxonomy_ncbiid=39249.0, organism_taxonomy_ottid=1011772.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Scrophulariaceae', tribe='Scrophularieae', genus='Scrophularia', species=nan, varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q79662650', reference_doi='10.1021/NP060511K', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q105207867', structure_inchikey='PFNTZFUZCHVMEE-SNVBAGLBSA-N', structure_inchi='InChI=1S/C11H14O5/c1-2-16-11(15)10(14)6-7-3-4-8(12)9(13)5-7/h3-5,10,12-14H,2,6H2,1H3/t10-/m1/s1', structure_smiles='CCOC(=O)C@HCc1ccc(O)c(O)c1', structure_molecular_formula='C11H14O5', structure_exact_mass=226.084123548, structure_xlogp=0.5643, structure_smiles_2d='CCOC(=O)C(O)Cc1ccc(O)c(O)c1', structure_cid=162882690.0, structure_name_iupac='ethyl (2R)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate', structure_name_traditional='ethyl (2R)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate', structure_stereocenters_total=1, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Shikimates and Phenylpropanoids', structure_taxonomy_npclassifier_02superclass=nan, structure_taxonomy_npclassifier_03class=nan, structure_taxonomy_classyfire_chemontid=135.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Benzenoids', structure_taxonomy_classyfire_03class='Phenols', structure_taxonomy_classyfire_04directparent='Catechols', organism_wikidata='http://www.wikidata.org/entity/Q11064061', organism_name='Nepeta prattii', organism_taxonomy_gbifid='5609887', organism_taxonomy_ncbiid=nan, organism_taxonomy_ottid=6082802.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Lamiaceae', tribe='Mentheae', genus='Nepeta', species='Nepeta prattii', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q105207866', reference_doi='10.1002/JCCS.200200039', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q113959951', structure_inchikey='OBZRGBHJXZTYAP-UHFFFAOYSA-N', structure_inchi='InChI=1S/C11H12O3/c1-2-3-9-4-6-10(7-5-9)14-11(13)8-12/h2,4-7,12H,1,3,8H2', structure_smiles='C=CCc1ccc(OC(=O)CO)cc1', structure_molecular_formula='C11H12O3', structure_exact_mass=192.078644244, structure_xlogp=1.3128, structure_smiles_2d='C=CCc1ccc(OC(=O)CO)cc1', structure_cid=68635693.0, structure_name_iupac='(4-prop-2-enylphenyl) 2-hydroxyacetate', structure_name_traditional='(4-Prop-2-enylphenyl) 2-hydroxyacetate', structure_stereocenters_total=0, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Shikimates and Phenylpropanoids', structure_taxonomy_npclassifier_02superclass='Phenylpropanoids (C6-C3)', structure_taxonomy_npclassifier_03class='Cinnamic acids and derivatives', structure_taxonomy_classyfire_chemontid=2319.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Benzenoids', structure_taxonomy_classyfire_03class='Phenol esters', structure_taxonomy_classyfire_04directparent='Phenol esters', organism_wikidata='http://www.wikidata.org/entity/Q1195985', organism_name='Agastache rugosa', organism_taxonomy_gbifid='7307327', organism_taxonomy_ncbiid=39271.0, organism_taxonomy_ottid=485528.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Lamiaceae', tribe='Mentheae', genus='Agastache', species='Agastache rugosa', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q113954439', reference_doi='10.1021/ACS.JNATPROD.9B00697.S001', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q82921503', structure_inchikey='OIIJXQMSEYQDDI-UHFFFAOYSA-N', structure_inchi='InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3', structure_smiles='Cc1ccc(C)c2c1CCCC2C', structure_molecular_formula='C13H18', structure_exact_mass=174.140850576, structure_xlogp=3.743240000000003, structure_smiles_2d='Cc1ccc(C)c2c1CCCC2C', structure_cid=30755.0, structure_name_iupac='1,5,8-trimethyl-1,2,3,4-tetrahydronaphthalene', structure_name_traditional='1,5,8-Trimethyl-1,2,3,4-tetrahydronaphthalene', structure_stereocenters_total=1, structure_stereocenters_unspecified=1, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Sesquiterpenoids', structure_taxonomy_npclassifier_03class='Cadinane sesquiterpenoids', structure_taxonomy_classyfire_chemontid=48.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Benzenoids', structure_taxonomy_classyfire_03class='Tetralins', structure_taxonomy_classyfire_04directparent='Tetralins', organism_wikidata='http://www.wikidata.org/entity/Q181095', organism_name='Nicotiana tabacum', organism_taxonomy_gbifid='2928774', organism_taxonomy_ncbiid=4097.0, organism_taxonomy_ottid=222787.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Solanales', family='Solanaceae', tribe='Nicotianeae', genus='Nicotiana', species='Nicotiana tabacum', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q80330982', reference_doi='10.1016/J.CHROMA.2004.03.057', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q105207867', structure_inchikey='PFNTZFUZCHVMEE-SNVBAGLBSA-N', structure_inchi='InChI=1S/C11H14O5/c1-2-16-11(15)10(14)6-7-3-4-8(12)9(13)5-7/h3-5,10,12-14H,2,6H2,1H3/t10-/m1/s1', structure_smiles='CCOC(=O)C@HCc1ccc(O)c(O)c1', structure_molecular_formula='C11H14O5', structure_exact_mass=226.084123548, structure_xlogp=0.5643, structure_smiles_2d='CCOC(=O)C(O)Cc1ccc(O)c(O)c1', structure_cid=162882690.0, structure_name_iupac='ethyl (2R)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate', structure_name_traditional='ethyl (2R)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate', structure_stereocenters_total=1, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Shikimates and Phenylpropanoids', structure_taxonomy_npclassifier_02superclass=nan, structure_taxonomy_npclassifier_03class=nan, structure_taxonomy_classyfire_chemontid=135.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Benzenoids', structure_taxonomy_classyfire_03class='Phenols', structure_taxonomy_classyfire_04directparent='Catechols', organism_wikidata='http://www.wikidata.org/entity/Q11064061', organism_name='Nepeta prattii', organism_taxonomy_gbifid='5609887', organism_taxonomy_ncbiid=nan, organism_taxonomy_ottid=6082802.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Lamiaceae', tribe='Mentheae', genus='Nepeta', species='Nepeta prattii', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q105207866', reference_doi='10.1002/JCCS.200200039', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q77559603', structure_inchikey='GZPGDNHQINDYSK-ONEGZZNKSA-N', structure_inchi='InChI=1S/C12H12O4/c1-3-4-7-9(13)6-5-8-10(7)16-12(2,15)11(8)14/h3-6,13,15H,1-2H3/b4-3+', structure_smiles='C/C=C/c1c(O)ccc2c1OC(C)(O)C2=O', structure_molecular_formula='C12H12O4', structure_exact_mass=220.073558864, structure_xlogp=1.7089, structure_smiles_2d='CC=Cc1c(O)ccc2c1OC(C)(O)C2=O', structure_cid=139587175.0, structure_name_iupac='2,6-dihydroxy-2-methyl-7-[(E)-prop-1-enyl]-1-benzofuran-3-one', structure_name_traditional='2,6-dihydroxy-2-methyl-7-(prop-1E-enyl)-1-benzofuran-3(2H)-one', structure_stereocenters_total=1, structure_stereocenters_unspecified=1, structure_taxonomy_npclassifier_01pathway='Polyketides', structure_taxonomy_npclassifier_02superclass=nan, structure_taxonomy_npclassifier_03class=nan, structure_taxonomy_classyfire_chemontid=301.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Organoheterocyclic compounds', structure_taxonomy_classyfire_03class='Benzofurans', structure_taxonomy_classyfire_04directparent='Benzofurans', organism_wikidata='http://www.wikidata.org/entity/Q2452570', organism_name='Verticillium', organism_taxonomy_gbifid='2513784', organism_taxonomy_ncbiid=1036719.0, organism_taxonomy_ottid=365693.0, domain='Eukaryota', kingdom='Fungi', phylum='Ascomycota', klass='Sordariomycetes', order='Glomerellales', family='Plectosphaerellaceae', tribe=nan, genus='Verticillium', species=nan, varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q78286560', reference_doi='10.1016/J.BSE.2009.03.008', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q417362', structure_inchikey='KSEBMYQBYZTDHS-HWKANZROSA-N', structure_inchi='InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+', structure_smiles='COc1cc(/C=C/C(=O)O)ccc1O', structure_molecular_formula='C10H10O4', structure_exact_mass=194.0579088, structure_xlogp=1.4986, structure_smiles_2d='COc1cc(C=CC(=O)O)ccc1O', structure_cid=445858.0, structure_name_iupac='(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid', structure_name_traditional='Ferulic acid', structure_stereocenters_total=0, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Shikimates and Phenylpropanoids', structure_taxonomy_npclassifier_02superclass='Phenylpropanoids (C6-C3)', structure_taxonomy_npclassifier_03class='Cinnamic acids and derivatives', structure_taxonomy_classyfire_chemontid=2503.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Phenylpropanoids and polyketides', structure_taxonomy_classyfire_03class='Cinnamic acids and derivatives', structure_taxonomy_classyfire_04directparent='Hydroxycinnamic acids', organism_wikidata='http://www.wikidata.org/entity/Q19796498', organism_name='Scrophularia frutescens', organism_taxonomy_gbifid='8132017', organism_taxonomy_ncbiid=1357617.0, organism_taxonomy_ottid=5232534.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Scrophulariaceae', tribe='Scrophularieae', genus='Scrophularia', species='Scrophularia frutescens', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q50138253', reference_doi='10.1016/0378-8741(96)01419-5', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q82224689', structure_inchikey='BVQOOKUOYKXECX-UHFFFAOYSA-N', 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structure_name_iupac='(1S,4aR,7aS)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-5-one', structure_name_traditional='(1S,4aR,7aS)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-5-one', structure_stereocenters_total=8, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Monoterpenoids', structure_taxonomy_npclassifier_03class='Iridoids monoterpenoids', structure_taxonomy_classyfire_chemontid=4081.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Prenol lipids', structure_taxonomy_classyfire_04directparent='Iridoid O-glycosides', organism_wikidata='http://www.wikidata.org/entity/Q163282', organism_name='Linaria japonica', 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structure_name_iupac='(1R,3S,6S)-6-[(E,3S)-3-hydroxybut-1-enyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol', structure_name_traditional='Corchoionol A', structure_stereocenters_total=4, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Apocarotenoids', structure_taxonomy_npclassifier_03class='Apocarotenoids (β-)', structure_taxonomy_classyfire_chemontid=1729.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Organoheterocyclic compounds', structure_taxonomy_classyfire_03class='Oxepanes', structure_taxonomy_classyfire_04directparent='Oxepanes', organism_wikidata='http://www.wikidata.org/entity/Q15331764', organism_name='Isodon excisus', organism_taxonomy_gbifid='5609026', organism_taxonomy_ncbiid=705303.0, organism_taxonomy_ottid=624040.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', 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Lotus(structure_wikidata='http://www.wikidata.org/entity/Q105290604', structure_inchikey='VPAOSFFTKWUGAD-BGNCJLHMSA-N', structure_inchi='InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12+,13+,14-,15-/m1/s1', structure_smiles='O=c1ccc2ccc(O[C@@H]3OC@HC@HC@H[C@H]3O)cc2o1', structure_molecular_formula='C15H16O8', structure_exact_mass=324.084517472, structure_xlogp=-1.0283, structure_smiles_2d='O=c1ccc2ccc(OC3OC(CO)C(O)C(O)C3O)cc2o1', structure_cid=22816386.0, structure_name_iupac='7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one', structure_name_traditional='7-beta-D-Galactopyranosyloxy-2H-1-benzopyran-2-one', structure_stereocenters_total=5, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Shikimates and Phenylpropanoids', structure_taxonomy_npclassifier_02superclass='Coumarins', structure_taxonomy_npclassifier_03class='Simple coumarins', 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structure_name_iupac='7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-one', structure_name_traditional='7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-one', structure_stereocenters_total=10, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Shikimates and Phenylpropanoids', structure_taxonomy_npclassifier_02superclass='Coumarins', structure_taxonomy_npclassifier_03class='Simple coumarins', structure_taxonomy_classyfire_chemontid=1743.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Phenylpropanoids and polyketides', structure_taxonomy_classyfire_03class='Coumarins and derivatives', structure_taxonomy_classyfire_04directparent='Coumarin glycosides', organism_wikidata='http://www.wikidata.org/entity/Q161040', organism_name='Morus nigra', 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structure_molecular_formula='C29H36O15', structure_exact_mass=624.205420452, structure_xlogp=-1.015900000000001, structure_smiles_2d='CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(CO)C2OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1O', structure_cid=5281800.0, structure_name_iupac='[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate', structure_name_traditional='Acteoside', structure_stereocenters_total=10, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Shikimates and Phenylpropanoids', structure_taxonomy_npclassifier_02superclass='Phenylpropanoids (C6-C3)', structure_taxonomy_npclassifier_03class='Cinnamic acids and derivatives', structure_taxonomy_classyfire_chemontid=59.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Phenylpropanoids and polyketides', 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structure_taxonomy_classyfire_03class=nan, structure_taxonomy_classyfire_04directparent=nan, organism_wikidata='http://www.wikidata.org/entity/Q746928', organism_name='Gerbera jamesonii', organism_taxonomy_gbifid='8409932', organism_taxonomy_ncbiid=13547.0, organism_taxonomy_ottid=1021698.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Asterales', family='Asteraceae', tribe='Mutisieae', genus='Gerbera', species='Gerbera jamesonii', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q103783127', reference_doi='10.1248/CPB.33.4803', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q82921503', structure_inchikey='OIIJXQMSEYQDDI-UHFFFAOYSA-N', structure_inchi='InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3', structure_smiles='Cc1ccc(C)c2c1CCCC2C', structure_molecular_formula='C13H18', structure_exact_mass=174.140850576, structure_xlogp=3.743240000000003, 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Lotus(structure_wikidata='http://www.wikidata.org/entity/Q104963510', structure_inchikey='CLJMUGBMMVBGHE-FOCKFDDASA-N', structure_inchi='InChI=1S/C9H16N2O6/c12-2-4-5(13)6(14)7(15)8-10-3(9(16)17)1-11(4)8/h3-8,10,12-15H,1-2H2,(H,16,17)/t3?,4-,5-,6+,7-,8?/m1/s1', structure_smiles='O=C(O)C1CN2C(N1)C@HC@@HC@H[C@H]2CO', structure_molecular_formula='C9H16N2O6', structure_exact_mass=248.100836232, structure_xlogp=-3.8719, structure_smiles_2d='O=C(O)C1CN2C(CO)C(O)C(O)C(O)C2N1', structure_cid=11957433.0, structure_name_iupac='(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-2-carboxylic acid', structure_name_traditional='(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-2-carboxylic acid', structure_stereocenters_total=6, structure_stereocenters_unspecified=2, structure_taxonomy_npclassifier_01pathway='Alkaloids', structure_taxonomy_npclassifier_02superclass='Lysine alkaloids', structure_taxonomy_npclassifier_03class='Indolizidine alkaloids', structure_taxonomy_classyfire_chemontid=60.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Organic acids and derivatives', structure_taxonomy_classyfire_03class='Carboxylic acids and derivatives', structure_taxonomy_classyfire_04directparent='Alpha amino acids and derivatives', organism_wikidata='http://www.wikidata.org/entity/Q156907', organism_name='Fraxinus excelsior', organism_taxonomy_gbifid='3172358', organism_taxonomy_ncbiid=38873.0, organism_taxonomy_ottid=671802.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Oleaceae', tribe='Oleeae', genus='Fraxinus', species='Fraxinus excelsior', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q42831451', reference_doi='10.1021/NP9003118', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q105251708', structure_inchikey='SFEOKXHPFMOVRM-ABZNLYFFSA-N', structure_inchi='InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,12H,1,5-6,9H2,2-4H3/b8-7+/t12-/m1/s1', structure_smiles='C=C1CCCC(C)(C)[C@@H]1/C=C/C(C)=O', structure_molecular_formula='C13H20O', structure_exact_mass=192.15141526, structure_xlogp=3.5141, structure_smiles_2d='C=C1CCCC(C)(C)C1C=CC(C)=O', structure_cid=11194862.0, structure_name_iupac='(E)-4-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]but-3-en-2-one', structure_name_traditional='(+)-gamma-Ionone', structure_stereocenters_total=1, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Apocarotenoids', structure_taxonomy_npclassifier_03class='Megastigmanes', structure_taxonomy_classyfire_chemontid=1550.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Prenol lipids', structure_taxonomy_classyfire_04directparent='Sesquiterpenoids', organism_wikidata='http://www.wikidata.org/entity/Q2281765', organism_name='Sideritis hirsuta', organism_taxonomy_gbifid='7443285', organism_taxonomy_ncbiid=nan, organism_taxonomy_ottid=7629238.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Lamiaceae', tribe='Stachydeae', genus='Sideritis', species='Sideritis hirsuta', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q104374457', reference_doi='10.1016/S0031-9422(00)80081-3', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q27135838', structure_inchikey='AUJXJFHANFIVKH-GQCTYLIASA-N', structure_inchi='InChI=1S/C11H12O4/c1-14-10-7-8(3-5-9(10)12)4-6-11(13)15-2/h3-7,12H,1-2H3/b6-4+', structure_smiles='COC(=O)/C=C/c1ccc(O)c(OC)c1', structure_molecular_formula='C11H12O4', structure_exact_mass=208.073558864, structure_xlogp=1.5869999999999995, structure_smiles_2d='COC(=O)C=Cc1ccc(O)c(OC)c1', structure_cid=5357283.0, structure_name_iupac='methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate', structure_name_traditional='Methyl ferulate', structure_stereocenters_total=0, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Shikimates and Phenylpropanoids', structure_taxonomy_npclassifier_02superclass='Phenylpropanoids (C6-C3)', structure_taxonomy_npclassifier_03class='Cinnamic acids and derivatives', structure_taxonomy_classyfire_chemontid=59.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Phenylpropanoids and polyketides', structure_taxonomy_classyfire_03class='Cinnamic acids and derivatives', structure_taxonomy_classyfire_04directparent='Coumaric acids and derivatives', organism_wikidata='http://www.wikidata.org/entity/Q4984650', organism_name='Buddleja globosa', organism_taxonomy_gbifid='6387494', organism_taxonomy_ncbiid=168495.0, organism_taxonomy_ottid=83888.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Scrophulariaceae', tribe='Buddlejeae', genus='Buddleja', species='Buddleja globosa', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q41527443', reference_doi='10.1016/0378-8741(84)90075-8', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q105245118', structure_inchikey='RTFMELNIBACUEH-CYBMUJFWSA-N', structure_inchi='InChI=1S/C13H14O3/c1-9(15)10-3-4-12-11(7-10)5-6-13(2,8-14)16-12/h3-7,14H,8H2,1-2H3/t13-/m1/s1', structure_smiles='CC(=O)c1ccc2c(c1)C=CC@(CO)O2', structure_molecular_formula='C13H14O3', structure_exact_mass=218.094294308, structure_xlogp=2.0458, structure_smiles_2d='CC(=O)c1ccc2c(c1)C=CC(C)(CO)O2', structure_cid=13851475.0, structure_name_iupac='1-[(2R)-2-(hydroxymethyl)-2-methylchromen-6-yl]ethanone', structure_name_traditional='1-[(2R)-2-(hydroxymethyl)-2-methylchromen-6-yl]ethanone', structure_stereocenters_total=1, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway=nan, structure_taxonomy_npclassifier_02superclass=nan, structure_taxonomy_npclassifier_03class=nan, structure_taxonomy_classyfire_chemontid=3410.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Organoheterocyclic compounds', structure_taxonomy_classyfire_03class='Benzopyrans', structure_taxonomy_classyfire_04directparent='1-benzopyrans', organism_wikidata='http://www.wikidata.org/entity/Q15726595', organism_name='Leucoblepharis subsessilis', organism_taxonomy_gbifid='4245883', organism_taxonomy_ncbiid=2052884.0, organism_taxonomy_ottid=7051229.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Asterales', family='Asteraceae', tribe='Athroismeae', genus='Leucoblepharis', species='Leucoblepharis subsessilis', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q104385278', reference_doi='10.1016/S0031-9422(00)84573-2', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q105204659', structure_inchikey='PAPGAOZQPFDLRG-VQISRLSMSA-N', structure_inchi='InChI=1S/C15H16O7/c1-15(10-2-3-11(18)21-10)14(20)13(19)12-8(17)4-7(6-16)5-9(12)22-15/h4-5,10,14,16-17,20H,2-3,6H2,1H3/t10-,14+,15-/m0/s1', structure_smiles='C[C@@]1([C@@H]2CCC(=O)O2)Oc2cc(CO)cc(O)c2C(=O)[C@H]1O', structure_molecular_formula='C15H16O7', structure_exact_mass=308.0896028519999, structure_xlogp=0.2847999999999998, structure_smiles_2d='CC1(C2CCC(=O)O2)Oc2cc(CO)cc(O)c2C(=O)C1O', structure_cid=11616513.0, structure_name_iupac='(2R,3S)-3,5-dihydroxy-7-(hydroxymethyl)-2-methyl-2-[(2S)-5-oxooxolan-2-yl]-3H-chromen-4-one', structure_name_traditional='Lachnone D', structure_stereocenters_total=3, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Polyketides', structure_taxonomy_npclassifier_02superclass='Chromanes', structure_taxonomy_npclassifier_03class='Chromones', structure_taxonomy_classyfire_chemontid=144.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Organoheterocyclic compounds', structure_taxonomy_classyfire_03class='Benzopyrans', structure_taxonomy_classyfire_04directparent='Chromones', organism_wikidata='http://www.wikidata.org/entity/Q6468607', organism_name='Lachnum', organism_taxonomy_gbifid='2581043', organism_taxonomy_ncbiid=47817.0, organism_taxonomy_ottid=472177.0, domain='Eukaryota', kingdom='Fungi', phylum='Ascomycota', klass='Leotiomycetes', order='Helotiales', family='Lachnaceae', tribe=nan, genus='Lachnum', species=nan, varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q78440104', reference_doi='10.1021/NP060164E', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q105149547', structure_inchikey='LBQIJVLKGVZRIW-UHFFFAOYSA-N', structure_inchi='InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3', structure_smiles='CC1(C)C=Cc2c(ccc3c2OCC(c2ccc(O)cc2O)C3)O1', structure_molecular_formula='C20H20O4', structure_exact_mass=324.13615911999995, structure_xlogp=4.000700000000005, structure_smiles_2d='CC1(C)C=Cc2c(ccc3c2OCC(c2ccc(O)cc2O)C3)O1', structure_cid=4484219.0, structure_name_iupac='4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)benzene-1,3-diol', structure_name_traditional='(R)-Glabridin', structure_stereocenters_total=1, structure_stereocenters_unspecified=1, structure_taxonomy_npclassifier_01pathway='Shikimates and Phenylpropanoids', structure_taxonomy_npclassifier_02superclass='Isoflavonoids', structure_taxonomy_npclassifier_03class='Isoflavanones', structure_taxonomy_classyfire_chemontid=3530.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Phenylpropanoids and polyketides', structure_taxonomy_classyfire_03class='Isoflavonoids', structure_taxonomy_classyfire_04directparent='Pyranoisoflavonoids', organism_wikidata='http://www.wikidata.org/entity/Q5572787', organism_name='Glycyrrhiza inflata', organism_taxonomy_gbifid='2965745', organism_taxonomy_ncbiid=74614.0, organism_taxonomy_ottid=284049.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Fabales', family='Fabaceae', tribe='Galegeae', genus='Glycyrrhiza', species='Glycyrrhiza inflata', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q71214999', reference_doi='10.1021/NP50008A004', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q105340491', structure_inchikey='XRIDGQVLGQMCMX-OLEFQQMKSA-N', structure_inchi='InChI=1S/C15H16O7/c1-20-12-6-9(2-4-10(12)16)3-5-14(18)21-8-13-11(17)7-15(19)22-13/h2-6,11,13,16-17H,7-8H2,1H3/b5-3+/t11-,13+/m0/s1', structure_smiles='COc1cc(/C=C/C(=O)OC[C@H]2OC(=O)C[C@@H]2O)ccc1O', structure_molecular_formula='C15H16O7', structure_exact_mass=308.089602852, structure_xlogp=0.6336, structure_smiles_2d='COc1cc(C=CC(=O)OCC2OC(=O)CC2O)ccc1O', structure_cid=102251684.0, structure_name_iupac='[(2R,3S)-3-hydroxy-5-oxooxolan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate', structure_name_traditional='3-(3-Methoxy-4-hydroxyphenyl)acrylic acid [(3beta-hydroxy-5-oxotetrahydrofuran-2alpha-yl)methyl] ester', structure_stereocenters_total=2, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Shikimates and Phenylpropanoids', structure_taxonomy_npclassifier_02superclass='Phenylpropanoids (C6-C3)', structure_taxonomy_npclassifier_03class='Cinnamic acids and derivatives', structure_taxonomy_classyfire_chemontid=59.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Phenylpropanoids and polyketides', structure_taxonomy_classyfire_03class='Cinnamic acids and derivatives', structure_taxonomy_classyfire_04directparent='Coumaric acids and derivatives', organism_wikidata='http://www.wikidata.org/entity/Q11103113', organism_name='Clematis terniflora var. mandshurica', organism_taxonomy_gbifid='4931431', organism_taxonomy_ncbiid=nan, organism_taxonomy_ottid=446556.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Ranunculales', family='Ranunculaceae', tribe='Anemoneae', genus='Clematis', species='Clematis terniflora', varietas='Clematis terniflora var. mandshurica', reference_wikidata='http://www.wikidata.org/entity/Q105036016', reference_doi='10.1002/HLCA.200690079', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q104938949', structure_inchikey='BNOTVQGTWXPTHW-VUDGCMKMSA-N', structure_inchi='InChI=1S/C16H18O8/c1-21-12-8-10(4-6-11(12)17)5-7-14(18)24-13(16(20)23-3)9-15(19)22-2/h4-8,13,17H,9H2,1-3H3/b7-5+/t13-/m1/s1', structure_smiles='COC(=O)CC@@HC(=O)OC', structure_molecular_formula='C16H18O8', structure_exact_mass=338.100167536, structure_xlogp=1.0619, structure_smiles_2d='COC(=O)CC(OC(=O)C=Cc1ccc(O)c(OC)c1)C(=O)OC', structure_cid=163186433.0, structure_name_iupac='dimethyl (2R)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxybutanedioate', structure_name_traditional='dimethyl (2R)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxybutanedioate', structure_stereocenters_total=1, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Shikimates and Phenylpropanoids', structure_taxonomy_npclassifier_02superclass='Phenylpropanoids (C6-C3)', structure_taxonomy_npclassifier_03class='Cinnamic acids and derivatives', structure_taxonomy_classyfire_chemontid=59.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Phenylpropanoids and polyketides', structure_taxonomy_classyfire_03class='Cinnamic acids and derivatives', structure_taxonomy_classyfire_04directparent='Coumaric acids and derivatives', organism_wikidata='http://www.wikidata.org/entity/Q3384', organism_name='Brassica rapa', organism_taxonomy_gbifid='7903057', organism_taxonomy_ncbiid=3711.0, organism_taxonomy_ottid=833632.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Brassicales', family='Brassicaceae', tribe='Brassiceae', genus='Brassica', species='Brassica rapa', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q57068846', reference_doi='10.1016/S0031-9422(97)00362-2', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q416126', structure_inchikey='POIARNZEYGURDG-FNORWQNLSA-N', structure_inchi='InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+', structure_smiles='C/C=C/C(=O)C1=C(C)C=CCC1(C)C', structure_molecular_formula='C13H18O', structure_exact_mass=190.135765196, structure_xlogp=3.4342, structure_smiles_2d='CC=CC(=O)C1=C(C)C=CCC1(C)C', structure_cid=5366074.0, structure_name_iupac='(E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one', structure_name_traditional='Damascenone', structure_stereocenters_total=0, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Apocarotenoids', structure_taxonomy_npclassifier_03class='Apocarotenoids (β-)', structure_taxonomy_classyfire_chemontid=1363.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Organic oxygen compounds', structure_taxonomy_classyfire_03class='Organooxygen compounds', structure_taxonomy_classyfire_04directparent='Enones', organism_wikidata='http://www.wikidata.org/entity/Q1530616', organism_name='Cedronella canariensis', organism_taxonomy_gbifid='11101095', organism_taxonomy_ncbiid=260595.0, organism_taxonomy_ottid=248831.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Lamiaceae', tribe='Mentheae', genus='Cedronella', species='Cedronella canariensis', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q100145813', reference_doi='10.1016/0031-9422(95)00241-X', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q1376658', structure_inchikey='FRMCCTDTYSRUBE-BGPZULBFSA-N', structure_inchi='InChI=1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h10-13,16H,1,5-8H2,2-4H3/t10-,11+,12+,13+,15-/m0/s1', structure_smiles='C=C1CC[C@@H]2C@HC2(C)C', structure_molecular_formula='C15H24O', structure_exact_mass=220.182715388, structure_xlogp=3.3858, structure_smiles_2d='C=C1CCC2C(C3C1CCC3(C)O)C2(C)C', structure_cid=92231.0, structure_name_iupac='(1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol', structure_name_traditional='Spathulenol', structure_stereocenters_total=5, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Sesquiterpenoids', structure_taxonomy_npclassifier_03class='Aromadendrane sesquiterpenoids', structure_taxonomy_classyfire_chemontid=3562.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Prenol lipids', structure_taxonomy_classyfire_04directparent='5,10-cycloaromadendrane sesquiterpenoids', organism_wikidata='http://www.wikidata.org/entity/Q5385559', organism_name='Eremophila cuneifolia', organism_taxonomy_gbifid='7422981', organism_taxonomy_ncbiid=2528942.0, organism_taxonomy_ottid=6074264.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Scrophulariaceae', tribe='Myoporeae', genus='Eremophila', species='Eremophila cuneifolia', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q104384941', reference_doi='10.1071/CH9840635', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q417362', structure_inchikey='KSEBMYQBYZTDHS-HWKANZROSA-N', structure_inchi='InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+', structure_smiles='COc1cc(/C=C/C(=O)O)ccc1O', structure_molecular_formula='C10H10O4', structure_exact_mass=194.0579088, structure_xlogp=1.4986, structure_smiles_2d='COc1cc(C=CC(=O)O)ccc1O', structure_cid=445858.0, structure_name_iupac='(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid', structure_name_traditional='Ferulic acid', structure_stereocenters_total=0, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Shikimates and Phenylpropanoids', structure_taxonomy_npclassifier_02superclass='Phenylpropanoids (C6-C3)', structure_taxonomy_npclassifier_03class='Cinnamic acids and derivatives', structure_taxonomy_classyfire_chemontid=2503.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Phenylpropanoids and polyketides', structure_taxonomy_classyfire_03class='Cinnamic acids and derivatives', structure_taxonomy_classyfire_04directparent='Hydroxycinnamic acids', organism_wikidata='http://www.wikidata.org/entity/Q19796498', organism_name='Scrophularia frutescens', organism_taxonomy_gbifid='8132017', organism_taxonomy_ncbiid=1357617.0, organism_taxonomy_ottid=5232534.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Scrophulariaceae', tribe='Scrophularieae', genus='Scrophularia', species='Scrophularia frutescens', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q50138253', reference_doi='10.1016/0378-8741(96)01419-5', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q104938949', structure_inchikey='BNOTVQGTWXPTHW-VUDGCMKMSA-N', structure_inchi='InChI=1S/C16H18O8/c1-21-12-8-10(4-6-11(12)17)5-7-14(18)24-13(16(20)23-3)9-15(19)22-2/h4-8,13,17H,9H2,1-3H3/b7-5+/t13-/m1/s1', structure_smiles='COC(=O)CC@@HC(=O)OC', structure_molecular_formula='C16H18O8', structure_exact_mass=338.100167536, structure_xlogp=1.0619, structure_smiles_2d='COC(=O)CC(OC(=O)C=Cc1ccc(O)c(OC)c1)C(=O)OC', structure_cid=163186433.0, structure_name_iupac='dimethyl (2R)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxybutanedioate', structure_name_traditional='dimethyl (2R)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxybutanedioate', structure_stereocenters_total=1, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Shikimates and Phenylpropanoids', structure_taxonomy_npclassifier_02superclass='Phenylpropanoids (C6-C3)', structure_taxonomy_npclassifier_03class='Cinnamic acids and derivatives', structure_taxonomy_classyfire_chemontid=59.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Phenylpropanoids and polyketides', structure_taxonomy_classyfire_03class='Cinnamic acids and derivatives', structure_taxonomy_classyfire_04directparent='Coumaric acids and derivatives', organism_wikidata='http://www.wikidata.org/entity/Q3384', organism_name='Brassica rapa', organism_taxonomy_gbifid='7903057', organism_taxonomy_ncbiid=3711.0, organism_taxonomy_ottid=833632.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Brassicales', family='Brassicaceae', tribe='Brassiceae', genus='Brassica', species='Brassica rapa', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q57068846', reference_doi='10.1016/S0031-9422(97)00362-2', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q115950470', structure_inchikey='DBULDXXXNYFHIC-DPISPOOGSA-N', structure_inchi='InChI=1S/C22H28O12/c1-8-4-3-5-10-14(8)11(6-13(23)32-10)33-22-20(29)18(27)16(25)12(34-22)7-30-21-19(28)17(26)15(24)9(2)31-21/h3-6,9,12,15-22,24-29H,7H2,1-2H3/t9-,12+,15-,16+,17+,18-,19+,20+,21+,22+/m0/s1', structure_smiles='Cc1cccc2oc(=O)cc(O[C@@H]3OC@HC@@HC@H[C@H]3O)c12', structure_molecular_formula='C22H28O12', structure_exact_mass=484.1580763359999, structure_xlogp=-1.8680799999999989, structure_smiles_2d='Cc1cccc2oc(=O)cc(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)c12', structure_cid=nan, structure_name_iupac=nan, structure_name_traditional=nan, structure_stereocenters_total=10, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Shikimates and Phenylpropanoids', structure_taxonomy_npclassifier_02superclass='Coumarins', structure_taxonomy_npclassifier_03class='Simple coumarins', structure_taxonomy_classyfire_chemontid=nan, structure_taxonomy_classyfire_01kingdom=nan, structure_taxonomy_classyfire_02superclass=nan, structure_taxonomy_classyfire_03class=nan, structure_taxonomy_classyfire_04directparent=nan, organism_wikidata='http://www.wikidata.org/entity/Q746928', organism_name='Gerbera jamesonii', organism_taxonomy_gbifid='8409932', organism_taxonomy_ncbiid=13547.0, organism_taxonomy_ottid=1021698.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Asterales', family='Asteraceae', tribe='Mutisieae', genus='Gerbera', species='Gerbera jamesonii', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q103783127', reference_doi='10.1248/CPB.33.4803', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q5276417', structure_inchikey='IMKHDCBNRDRUEB-LLVKDONJSA-N', structure_inchi='InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3/t11-/m1/s1', structure_smiles='CC1(C)CCC[C@@]2(C)OC(=O)C=C12', structure_molecular_formula='C11H16O2', structure_exact_mass=180.115029752, structure_xlogp=2.438400000000001, structure_smiles_2d='CC1(C)CCCC2(C)OC(=O)C=C12', structure_cid=6432173.0, structure_name_iupac='(7aR)-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one', structure_name_traditional='Actinidiolide, dihydro-', structure_stereocenters_total=1, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Apocarotenoids', structure_taxonomy_npclassifier_03class='Apocarotenoids (β-)', structure_taxonomy_classyfire_chemontid=301.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Organoheterocyclic compounds', structure_taxonomy_classyfire_03class='Benzofurans', structure_taxonomy_classyfire_04directparent='Benzofurans', organism_wikidata='http://www.wikidata.org/entity/Q1530616', organism_name='Cedronella canariensis', organism_taxonomy_gbifid='11101095', organism_taxonomy_ncbiid=260595.0, organism_taxonomy_ottid=248831.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Lamiaceae', tribe='Mentheae', genus='Cedronella', species='Cedronella canariensis', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q100145813', reference_doi='10.1016/0031-9422(95)00241-X', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q105182002', structure_inchikey='NMWOPEGXVGPYLC-ZCFIWIBFSA-N', structure_inchi='InChI=1S/C16H16O6/c1-6-16(2,3)10-11(18)7-5-8(17)14(21-4)12(19)9(7)13(20)15(10)22-6/h5-6,17,19H,1-4H3/t6-/m1/s1', structure_smiles='COc1c(O)cc2c(c1O)C(=O)C1=C(C2=O)C(C)(C)C@@HO1', structure_molecular_formula='C16H16O6', structure_exact_mass=304.094688232, structure_xlogp=2.1844, structure_smiles_2d='COc1c(O)cc2c(c1O)C(=O)C1=C(C2=O)C(C)(C)C(C)O1', structure_cid=11208908.0, structure_name_iupac='(2R)-6,8-dihydroxy-7-methoxy-2,3,3-trimethyl-2H-benzo[f][1]benzofuran-4,9-dione', structure_name_traditional='(R)-7-methoxy-6,8-dihydroxy-alpha-dunnione', structure_stereocenters_total=1, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Polyketides', structure_taxonomy_npclassifier_02superclass='Naphthalenes', structure_taxonomy_npclassifier_03class='Naphthoquinones', structure_taxonomy_classyfire_chemontid=1634.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Organoheterocyclic compounds', structure_taxonomy_classyfire_03class='Naphthofurans', structure_taxonomy_classyfire_04directparent='Naphthofurans', organism_wikidata='http://www.wikidata.org/entity/Q55938099', organism_name='Primulina eburnea', organism_taxonomy_gbifid='7713335', organism_taxonomy_ncbiid=1245227.0, organism_taxonomy_ottid=3885394.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Gesneriaceae', tribe='Trichosporeae', genus='Primulina', species='Primulina eburnea', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q46514584', reference_doi='10.1021/NP049632F', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q75069751', structure_inchikey='LVIDDMJSLAVTSZ-UHFFFAOYSA-N', structure_inchi='InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8,10-11H,5,7,9H2,1-4H3', structure_smiles='Cc1ccc(C(C)C)c2c1CCC(C)C2', structure_molecular_formula='C15H22', structure_exact_mass=202.172150704, structure_xlogp=4.243220000000004, structure_smiles_2d='Cc1ccc(C(C)C)c2c1CCC(C)C2', structure_cid=518975.0, structure_name_iupac='2,5-dimethyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene', structure_name_traditional='8-Isopropyl-2,5-dimethyl-1,2,3,4-tetrahydronaphthalene', structure_stereocenters_total=1, structure_stereocenters_unspecified=1, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Sesquiterpenoids', structure_taxonomy_npclassifier_03class='Cadinane sesquiterpenoids', structure_taxonomy_classyfire_chemontid=1550.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Prenol lipids', structure_taxonomy_classyfire_04directparent='Sesquiterpenoids', organism_wikidata='http://www.wikidata.org/entity/Q864698', organism_name='Salvia fruticosa', organism_taxonomy_gbifid='6412283', organism_taxonomy_ncbiid=268906.0, organism_taxonomy_ottid=287408.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Lamiaceae', tribe='Mentheae', genus='Salvia', species='Salvia fruticosa', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q43777177', reference_doi='10.1016/S0367-326X(01)00327-6', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q1376658', structure_inchikey='FRMCCTDTYSRUBE-BGPZULBFSA-N', structure_inchi='InChI=1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h10-13,16H,1,5-8H2,2-4H3/t10-,11+,12+,13+,15-/m0/s1', structure_smiles='C=C1CC[C@@H]2C@HC2(C)C', structure_molecular_formula='C15H24O', structure_exact_mass=220.182715388, structure_xlogp=3.3858, structure_smiles_2d='C=C1CCC2C(C3C1CCC3(C)O)C2(C)C', structure_cid=92231.0, structure_name_iupac='(1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol', structure_name_traditional='Spathulenol', structure_stereocenters_total=5, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Sesquiterpenoids', structure_taxonomy_npclassifier_03class='Aromadendrane sesquiterpenoids', structure_taxonomy_classyfire_chemontid=3562.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Prenol lipids', structure_taxonomy_classyfire_04directparent='5,10-cycloaromadendrane sesquiterpenoids', organism_wikidata='http://www.wikidata.org/entity/Q5385559', organism_name='Eremophila cuneifolia', organism_taxonomy_gbifid='7422981', organism_taxonomy_ncbiid=2528942.0, organism_taxonomy_ottid=6074264.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Scrophulariaceae', tribe='Myoporeae', genus='Eremophila', species='Eremophila cuneifolia', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q104384941', reference_doi='10.1071/CH9840635', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q105146687', structure_inchikey='KVRQQFBSAHPTAB-ATLLRHMBSA-N', structure_inchi='InChI=1S/C11H18O9/c1-4(5(14)2-12)10(18)20-11-9(17)8(16)7(15)6(3-13)19-11/h5-9,11-17H,1-3H2/t5-,6-,7-,8+,9-,11+/m1/s1', structure_smiles='C=C(C(=O)O[C@@H]1OC@HC@@HC@H[C@H]1O)C@HCO', structure_molecular_formula='C11H18O9', structure_exact_mass=294.095082156, structure_xlogp=-3.7611, structure_smiles_2d='C=C(C(=O)OC1OC(CO)C(O)C(O)C1O)C(O)CO', structure_cid=46947448.0, structure_name_iupac='[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S)-3,4-dihydroxy-2-methylidenebutanoate', structure_name_traditional='[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S)-3,4-dihydroxy-2-methylidenebutanoate', structure_stereocenters_total=6, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Fatty acids', structure_taxonomy_npclassifier_02superclass='Fatty acyl glycosides', structure_taxonomy_npclassifier_03class='Fatty acyl glycosides of mono- and disaccharides', structure_taxonomy_classyfire_chemontid=1498.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Organic oxygen compounds', structure_taxonomy_classyfire_03class='Organooxygen compounds', structure_taxonomy_classyfire_04directparent='Hexoses', organism_wikidata='http://www.wikidata.org/entity/Q163060', organism_name='Tulipa gesneriana', organism_taxonomy_gbifid='c("8195153", "5299675")', organism_taxonomy_ncbiid=13306.0, organism_taxonomy_ottid=878707.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Liliales', family='Liliaceae', tribe=nan, genus='Tulipa', species='Tulipa gesneriana', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q42930172', reference_doi='10.1016/J.BMCL.2010.07.139', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q27279642', structure_inchikey='VFNUNYPYULIJSN-UHFFFAOYSA-N', structure_inchi='InChI=1S/C12H18O/c1-8(2)10-5-6-11(9(3)4)12(13)7-10/h5-9,13H,1-4H3', structure_smiles='CC(C)c1ccc(C(C)C)c(O)c1', structure_molecular_formula='C12H18O', structure_exact_mass=178.135765196, structure_xlogp=3.639, structure_smiles_2d='CC(C)c1ccc(C(C)C)c(O)c1', structure_cid=93189.0, structure_name_iupac='2,5-di(propan-2-yl)phenol', structure_name_traditional='2,5-Diisopropylphenol', structure_stereocenters_total=0, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Monoterpenoids', structure_taxonomy_npclassifier_03class='Menthane monoterpenoids', structure_taxonomy_classyfire_chemontid=51.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Prenol lipids', structure_taxonomy_classyfire_04directparent='Aromatic monoterpenoids', organism_wikidata='http://www.wikidata.org/entity/Q1302761', organism_name='Thymbra capitata', organism_taxonomy_gbifid='10939206', organism_taxonomy_ncbiid=543980.0, organism_taxonomy_ottid=27200.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Lamiaceae', tribe='Mentheae', genus='Thymbra', species='Thymbra capitata', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q105155479', reference_doi='10.1016/0031-9422(80)80207-X', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q105265372', structure_inchikey='TVKRNRXCYDYICD-HHWBLVPJSA-N', structure_inchi='InChI=1S/C19H35NO4/c1-5-8-17(3,22)15-10-13(2)11-19(24-15)12-20-9-6-7-14(20)18(4,23)16(19)21/h13-16,21-23H,5-12H2,1-4H3/t13-,14+,15+,16+,17-,18-,19-/m1/s1', structure_smiles='CCCC@@(O)[C@@H]1CC@@HC[C@]2(CN3CCC[C@H]3C@@(O)[C@@H]2O)O1', structure_molecular_formula='C19H35NO4', structure_exact_mass=341.2566086, structure_xlogp=1.6813, structure_smiles_2d='CCCC(C)(O)C1CC(C)CC2(CN3CCCC3C(C)(O)C2O)O1', structure_cid=162915644.0, structure_name_iupac="(4'R,6R,6'S,7S,8R,8aS)-6'-[(2R)-2-hydroxypentan-2-yl]-4',8-dimethylspiro[1,2,3,5,7,8a-hexahydroindolizine-6,2'-oxane]-7,8-diol", structure_name_traditional="(4'R,6R,6'S,7S,8R,8aS)-6'-[(2R)-2-hydroxypentan-2-yl]-4',8-dimethylspiro[1,2,3,5,7,8a-hexahydroindolizine-6,2'-oxane]-7,8-diol", structure_stereocenters_total=7, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Alkaloids', structure_taxonomy_npclassifier_02superclass=nan, structure_taxonomy_npclassifier_03class=nan, structure_taxonomy_classyfire_chemontid=130.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Organoheterocyclic compounds', structure_taxonomy_classyfire_03class='Azaspirodecane derivatives', structure_taxonomy_classyfire_04directparent='Azaspirodecane derivatives', organism_wikidata='http://www.wikidata.org/entity/Q648741', organism_name='Epipedobates tricolor', organism_taxonomy_gbifid='2429055', organism_taxonomy_ncbiid=92736.0, organism_taxonomy_ottid=996212.0, domain='Eukaryota', kingdom='Metazoa', phylum='Chordata', klass='Amphibia', order='Anura', family='Dendrobatidae', tribe=nan, genus='Epipedobates', species='Epipedobates tricolor', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q105265370', reference_doi='10.3987/COM-98-S(H)89', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q416126', structure_inchikey='POIARNZEYGURDG-FNORWQNLSA-N', structure_inchi='InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+', structure_smiles='C/C=C/C(=O)C1=C(C)C=CCC1(C)C', structure_molecular_formula='C13H18O', structure_exact_mass=190.135765196, structure_xlogp=3.4342, structure_smiles_2d='CC=CC(=O)C1=C(C)C=CCC1(C)C', structure_cid=5366074.0, structure_name_iupac='(E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one', structure_name_traditional='Damascenone', structure_stereocenters_total=0, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Apocarotenoids', structure_taxonomy_npclassifier_03class='Apocarotenoids (β-)', structure_taxonomy_classyfire_chemontid=1363.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Organic oxygen compounds', structure_taxonomy_classyfire_03class='Organooxygen compounds', structure_taxonomy_classyfire_04directparent='Enones', organism_wikidata='http://www.wikidata.org/entity/Q1530616', organism_name='Cedronella canariensis', organism_taxonomy_gbifid='11101095', organism_taxonomy_ncbiid=260595.0, organism_taxonomy_ottid=248831.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Lamiaceae', tribe='Mentheae', genus='Cedronella', species='Cedronella canariensis', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q100145813', reference_doi='10.1016/0031-9422(95)00241-X', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q104202184', structure_inchikey='YYBMBBAPYWDAJX-UHFFFAOYSA-N', structure_inchi='InChI=1S/C15H15NO3/c1-15(2)8-7-10-13(19-15)9-5-4-6-11(17)12(9)16(3)14(10)18/h4-8,17H,1-3H3', structure_smiles='Cn1c(=O)c2c(c3cccc(O)c31)OC(C)(C)C=C2', structure_molecular_formula='C15H15NO3', structure_exact_mass=257.10519334, structure_xlogp=2.4283, structure_smiles_2d='Cn1c(=O)c2c(c3cccc(O)c31)OC(C)(C)C=C2', structure_cid=85741561.0, structure_name_iupac='7-hydroxy-2,2,6-trimethylpyrano[3,2-c]quinolin-5-one', structure_name_traditional='7-Hydroxy-2,2,6-trimethylpyrano[3,2-c]quinolin-5-one', structure_stereocenters_total=0, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Alkaloids', structure_taxonomy_npclassifier_02superclass='Tryptophan alkaloids', structure_taxonomy_npclassifier_03class='Quinoline alkaloids', structure_taxonomy_classyfire_chemontid=1291.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Organoheterocyclic compounds', structure_taxonomy_classyfire_03class='Quinolines and derivatives', structure_taxonomy_classyfire_04directparent='Pyranoquinolines', organism_wikidata='http://www.wikidata.org/entity/Q15393957', organism_name='Rauia resinosa', organism_taxonomy_gbifid='6040873', organism_taxonomy_ncbiid=2321334.0, organism_taxonomy_ottid=6126588.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Sapindales', family='Rutaceae', tribe=nan, genus='Rauia', species='Rauia resinosa', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q58816340', reference_doi='10.1590/S0100-40422010001000024', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q105341122', structure_inchikey='XSNMUAUBDFNEIO-SECBINFHSA-N', structure_inchi='InChI=1S/C15H16N2O2/c1-9(8-18)14-15-13(12(19-2)7-16-14)10-5-3-4-6-11(10)17-15/h3-7,9,17-18H,8H2,1-2H3/t9-/m1/s1', structure_smiles='COc1cnc(C@HCO)c2[nH]c3ccccc3c12', structure_molecular_formula='C15H16N2O2', structure_exact_mass=256.121177752, structure_xlogp=2.8205, structure_smiles_2d='COc1cnc(C(C)CO)c2[nH]c3ccccc3c12', structure_cid=162869012.0, structure_name_iupac='(2S)-2-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)propan-1-ol', 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structure_taxonomy_npclassifier_02superclass='Sesquiterpenoids', structure_taxonomy_npclassifier_03class='Cadinane sesquiterpenoids', structure_taxonomy_classyfire_chemontid=1550.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Prenol lipids', structure_taxonomy_classyfire_04directparent='Sesquiterpenoids', organism_wikidata='http://www.wikidata.org/entity/Q864698', organism_name='Salvia fruticosa', organism_taxonomy_gbifid='6412283', organism_taxonomy_ncbiid=268906.0, organism_taxonomy_ottid=287408.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Lamiaceae', tribe='Mentheae', genus='Salvia', species='Salvia fruticosa', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q43777177', reference_doi='10.1016/S0367-326X(01)00327-6', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q75069751', structure_inchikey='LVIDDMJSLAVTSZ-UHFFFAOYSA-N', structure_inchi='InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8,10-11H,5,7,9H2,1-4H3', structure_smiles='Cc1ccc(C(C)C)c2c1CCC(C)C2', structure_molecular_formula='C15H22', structure_exact_mass=202.172150704, structure_xlogp=4.243220000000004, structure_smiles_2d='Cc1ccc(C(C)C)c2c1CCC(C)C2', structure_cid=518975.0, structure_name_iupac='2,5-dimethyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene', structure_name_traditional='8-Isopropyl-2,5-dimethyl-1,2,3,4-tetrahydronaphthalene', structure_stereocenters_total=1, structure_stereocenters_unspecified=1, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Sesquiterpenoids', structure_taxonomy_npclassifier_03class='Cadinane sesquiterpenoids', structure_taxonomy_classyfire_chemontid=1550.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Prenol lipids', structure_taxonomy_classyfire_04directparent='Sesquiterpenoids', organism_wikidata='http://www.wikidata.org/entity/Q864698', organism_name='Salvia fruticosa', organism_taxonomy_gbifid='6412283', organism_taxonomy_ncbiid=268906.0, organism_taxonomy_ottid=287408.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Lamiaceae', tribe='Mentheae', genus='Salvia', species='Salvia fruticosa', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q43777177', reference_doi='10.1016/S0367-326X(01)00327-6', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q1376658', structure_inchikey='FRMCCTDTYSRUBE-BGPZULBFSA-N', structure_inchi='InChI=1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h10-13,16H,1,5-8H2,2-4H3/t10-,11+,12+,13+,15-/m0/s1', structure_smiles='C=C1CC[C@@H]2C@HC2(C)C', structure_molecular_formula='C15H24O', structure_exact_mass=220.182715388, structure_xlogp=3.3858, structure_smiles_2d='C=C1CCC2C(C3C1CCC3(C)O)C2(C)C', structure_cid=92231.0, structure_name_iupac='(1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol', structure_name_traditional='Spathulenol', structure_stereocenters_total=5, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Sesquiterpenoids', structure_taxonomy_npclassifier_03class='Aromadendrane sesquiterpenoids', structure_taxonomy_classyfire_chemontid=3562.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Prenol lipids', structure_taxonomy_classyfire_04directparent='5,10-cycloaromadendrane sesquiterpenoids', organism_wikidata='http://www.wikidata.org/entity/Q5385559', organism_name='Eremophila cuneifolia', organism_taxonomy_gbifid='7422981', organism_taxonomy_ncbiid=2528942.0, organism_taxonomy_ottid=6074264.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Scrophulariaceae', tribe='Myoporeae', genus='Eremophila', species='Eremophila cuneifolia', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q104384941', reference_doi='10.1071/CH9840635', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q27279642', structure_inchikey='VFNUNYPYULIJSN-UHFFFAOYSA-N', structure_inchi='InChI=1S/C12H18O/c1-8(2)10-5-6-11(9(3)4)12(13)7-10/h5-9,13H,1-4H3', structure_smiles='CC(C)c1ccc(C(C)C)c(O)c1', structure_molecular_formula='C12H18O', structure_exact_mass=178.135765196, structure_xlogp=3.639, structure_smiles_2d='CC(C)c1ccc(C(C)C)c(O)c1', structure_cid=93189.0, structure_name_iupac='2,5-di(propan-2-yl)phenol', structure_name_traditional='2,5-Diisopropylphenol', structure_stereocenters_total=0, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Monoterpenoids', structure_taxonomy_npclassifier_03class='Menthane monoterpenoids', structure_taxonomy_classyfire_chemontid=51.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Prenol lipids', structure_taxonomy_classyfire_04directparent='Aromatic monoterpenoids', organism_wikidata='http://www.wikidata.org/entity/Q1302761', organism_name='Thymbra capitata', organism_taxonomy_gbifid='10939206', organism_taxonomy_ncbiid=543980.0, organism_taxonomy_ottid=27200.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Lamiaceae', tribe='Mentheae', genus='Thymbra', species='Thymbra capitata', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q105155479', reference_doi='10.1016/0031-9422(80)80207-X', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q105120539', structure_inchikey='IUFQXXXVUIYVOZ-UJNFCWOMSA-N', structure_inchi='InChI=1S/C11H16O2/c1-7-4-3-5-9-8(2)6-13-11(12)10(7)9/h6-7,9-10H,3-5H2,1-2H3/t7-,9-,10+/m0/s1', structure_smiles='CC1=COC(=O)[C@@H]2C@@HCCC[C@@H]12', structure_molecular_formula='C11H16O2', structure_exact_mass=180.115029752, structure_xlogp=2.4994, structure_smiles_2d='CC1=COC(=O)C2C(C)CCCC12', structure_cid=163029229.0, structure_name_iupac='(4aR,8S,8aR)-4,8-dimethyl-4a,5,6,7,8,8a-hexahydroisochromen-1-one', structure_name_traditional='(4aR,8S,8aR)-4,8-dimethyl-4a,5,6,7,8,8a-hexahydroisochromen-1-one', structure_stereocenters_total=3, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Monoterpenoids', structure_taxonomy_npclassifier_03class='Iridoids monoterpenoids', structure_taxonomy_classyfire_chemontid=1211.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Organoheterocyclic compounds', structure_taxonomy_classyfire_03class='Pyrans', structure_taxonomy_classyfire_04directparent='Dihydropyranones', organism_wikidata='http://www.wikidata.org/entity/Q1721165', organism_name='Nepeta nuda', organism_taxonomy_gbifid='7309059', organism_taxonomy_ncbiid=1533225.0, organism_taxonomy_ottid=5801075.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Lamiaceae', tribe='Mentheae', genus='Nepeta', species='Nepeta nuda', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q104247086', reference_doi='10.1016/S0031-9422(00)84709-3', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q27137518', structure_inchikey='LLUGDEYQSVTJSI-WBVHZDCISA-N', structure_inchi='InChI=1S/C18H24O2/c1-11-8-12-4-6-15-13(9-14(12)10-16(11)19)5-7-17(20)18(15,2)3/h8-10,15,17,19-20H,4-7H2,1-3H3/t15-,17+/m1/s1', structure_smiles='Cc1cc2c(cc1O)C=C1CCC@HC(C)(C)[C@@H]1CC2', structure_molecular_formula='C18H24O2', structure_exact_mass=272.177630008, structure_xlogp=3.8273200000000034, structure_smiles_2d='Cc1cc2c(cc1O)C=C1CCC(O)C(C)(C)C1CC2', structure_cid=14779675.0, structure_name_iupac='(11R,13S)-6,12,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6-tetraene-5,13-diol', structure_name_traditional='1,2-Dihydroheudelotinol', structure_stereocenters_total=2, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Diterpenoids', structure_taxonomy_npclassifier_03class='Abeoabietane diterpenoids', structure_taxonomy_classyfire_chemontid=4646.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Benzenoids', structure_taxonomy_classyfire_03class='Phenols', structure_taxonomy_classyfire_04directparent='1-hydroxy-2-unsubstituted benzenoids', organism_wikidata='http://www.wikidata.org/entity/Q15384926', organism_name='Trigonostemon flavidus', organism_taxonomy_gbifid='3063409', organism_taxonomy_ncbiid=2606819.0, organism_taxonomy_ottid=3914668.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Malpighiales', family='Euphorbiaceae', tribe='Trigonostemoneae', genus='Trigonostemon', species='Trigonostemon flavidus', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q82706064', reference_doi='10.1021/NP200772N', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q105193286', structure_inchikey='OJUFMXZXXZASBJ-FYYLOGMGSA-N', structure_inchi='InChI=1S/C25H20O9/c1-31-19-8-13(4-7-15(19)28)23-21(11-26)34-24-20(33-23)10-17(30)22-16(29)9-18(32-25(22)24)12-2-5-14(27)6-3-12/h2-10,21,23,26-28,30H,11H2,1H3/t21-,23-/m1/s1', structure_smiles='COc1cc([C@H]2Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3O[C@@H]2CO)ccc1O', structure_molecular_formula='C25H20O9', structure_exact_mass=464.11073222, structure_xlogp=3.4588, structure_smiles_2d='COc1cc(C2Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3OC2CO)ccc1O', structure_cid=372739.0, structure_name_iupac='(2R,3R)-6-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-9-(4-hydroxyphenyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one', structure_name_traditional='Scutellaprostin B', structure_stereocenters_total=2, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Shikimates and Phenylpropanoids', structure_taxonomy_npclassifier_02superclass='Flavonoids', structure_taxonomy_npclassifier_03class='Flavones', structure_taxonomy_classyfire_chemontid=1844.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lignans, neolignans and related compounds', structure_taxonomy_classyfire_03class='Flavonolignans', structure_taxonomy_classyfire_04directparent='Flavonolignans', organism_wikidata='http://www.wikidata.org/entity/Q11060714', organism_name='Scutellaria prostrata', organism_taxonomy_gbifid='5608452', organism_taxonomy_ncbiid=2858946.0, organism_taxonomy_ottid=6085722.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Lamiaceae', tribe=nan, genus='Scutellaria', species='Scutellaria prostrata', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q104913267', reference_doi='10.1248/CPB.39.1466', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q105328300', structure_inchikey='XHUGGGNADRQBIR-PEZLKRJXSA-N', structure_inchi='InChI=1S/C18H26O3/c1-12(19)13-4-7-18-9-8-16(2,11-18)6-5-14(18)17(13,3)10-15(20)21/h8-9,13-14H,4-7,10-11H2,1-3H3,(H,20,21)/t13-,14+,16-,17-,18+/m1/s1', structure_smiles='CC(=O)[C@H]1CC[C@@]23C=CC@@(CC[C@H]2[C@]1(C)CC(=O)O)C3', structure_molecular_formula='C18H26O3', structure_exact_mass=290.188194692, structure_xlogp=3.829, structure_smiles_2d='CC(=O)C1CCC23C=CC(C)(CCC2C1(C)CC(=O)O)C3', structure_cid=16069529.0, structure_name_iupac='2-[(1R,4S,5S,6S,9S)-4-acetyl-5,9-dimethyl-5-tricyclo[7.2.1.01,6]dodec-10-enyl]acetic acid', structure_name_traditional='(5beta,8alpha,9beta,10alpha,13S)-4-Oxo-3,19-dinor-2,4-secobeyera-15-ene-2-oic acid', structure_stereocenters_total=5, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Diterpenoids', structure_taxonomy_npclassifier_03class='Secokaurane diterpenoids', structure_taxonomy_classyfire_chemontid=118.0, 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structure_inchi='InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m1/s1', structure_smiles='CC(=O)/C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C', structure_molecular_formula='C13H18O3', structure_exact_mass=222.125594436, structure_xlogp=1.8080000000000005, structure_smiles_2d='CC(=O)C=CC1(O)C(C)=CC(=O)CC1(C)C', structure_cid=688492.0, structure_name_iupac='(4S)-4-hydroxy-3,5,5-trimethyl-4-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one', structure_name_traditional='Dehydrovomifoliol', structure_stereocenters_total=1, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Apocarotenoids', structure_taxonomy_npclassifier_03class='Apocarotenoids(ε-)', structure_taxonomy_classyfire_chemontid=1550.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Prenol 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structure_molecular_formula='C18H26O3', structure_exact_mass=290.188194692, structure_xlogp=3.829, structure_smiles_2d='CC(=O)C1CCC23C=CC(C)(CCC2C1(C)CC(=O)O)C3', structure_cid=16069529.0, structure_name_iupac='2-[(1R,4S,5S,6S,9S)-4-acetyl-5,9-dimethyl-5-tricyclo[7.2.1.01,6]dodec-10-enyl]acetic acid', structure_name_traditional='(5beta,8alpha,9beta,10alpha,13S)-4-Oxo-3,19-dinor-2,4-secobeyera-15-ene-2-oic acid', structure_stereocenters_total=5, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Diterpenoids', structure_taxonomy_npclassifier_03class='Secokaurane diterpenoids', structure_taxonomy_classyfire_chemontid=118.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Organic oxygen compounds', structure_taxonomy_classyfire_03class='Organooxygen compounds', structure_taxonomy_classyfire_04directparent='Ketones', 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structure_smiles_2d='CCCCCC=CC=CC(=O)CCCCCCCC(=O)O', structure_cid=193923.0, structure_name_iupac='9-oxooctadeca-10,12-dienoic acid', structure_name_traditional='9-Oxooctadeca-10,12-dienoic acid', structure_stereocenters_total=0, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway=nan, structure_taxonomy_npclassifier_02superclass=nan, structure_taxonomy_npclassifier_03class=nan, structure_taxonomy_classyfire_chemontid=504.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Fatty Acyls', structure_taxonomy_classyfire_04directparent='Lineolic acids and derivatives', organism_wikidata='http://www.wikidata.org/entity/Q161290', organism_name='Galeopsis bifida', organism_taxonomy_gbifid='5341303', organism_taxonomy_ncbiid=572113.0, organism_taxonomy_ottid=391749.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', 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structure_taxonomy_classyfire_03class='Fatty Acyls', structure_taxonomy_classyfire_04directparent='Long-chain fatty acids', organism_wikidata='http://www.wikidata.org/entity/Q15253794', organism_name='Heisteria acuminata', organism_taxonomy_gbifid='7222047', organism_taxonomy_ncbiid=681446.0, organism_taxonomy_ottid=347246.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Santalales', family='Erythropalaceae', tribe=nan, genus='Heisteria', species='Heisteria acuminata', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q74536895', reference_doi='10.1021/NP970357P', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q110192839', structure_inchikey='GGEHGIPZDUKHHM-UHFFFAOYSA-N', structure_inchi='InChI=1S/C17H26O5/c1-9-12-11(22-15(9)19)8-16(3)6-5-7-17(4,20)14(16)13(12)21-10(2)18/h9,11-14,20H,5-8H2,1-4H3', structure_smiles='CC(=O)OC1C2C(CC3(C)CCCC(C)(O)C13)OC(=O)C2C', structure_molecular_formula='C17H26O5', structure_exact_mass=310.178023932, structure_xlogp=2.0569, structure_smiles_2d='CC(=O)OC1C2C(CC3(C)CCCC(C)(O)C13)OC(=O)C2C', structure_cid=162888768.0, structure_name_iupac='(5-hydroxy-3,5,8a-trimethyl-2-oxo-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-4-yl) acetate', structure_name_traditional='(5-hydroxy-3,5,8a-trimethyl-2-oxo-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-4-yl) acetate', structure_stereocenters_total=7, structure_stereocenters_unspecified=7, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Sesquiterpenoids', structure_taxonomy_npclassifier_03class='Eudesmane sesquiterpenoids', structure_taxonomy_classyfire_chemontid=1772.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Prenol lipids', 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structure_smiles='C=C1C(=O)C=C[C@@H]2[C@@]3(C)CCC@(O)C[C@@H]3CC[C@]12C', structure_molecular_formula='C18H26O2', structure_exact_mass=274.193280072, structure_xlogp=3.655200000000003, structure_smiles_2d='C=C1C(=O)C=CC2C1(C)CCC1CC(C)(O)CCC12C', structure_cid=49831500.0, structure_name_iupac='(4aR,4bS,7S,8aS,10aS)-7-hydroxy-4b,7,10a-trimethyl-1-methylidene-5,6,8,8a,9,10-hexahydro-4aH-phenanthren-2-one', structure_name_traditional='Tagalsin Q', structure_stereocenters_total=5, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Diterpenoids', structure_taxonomy_npclassifier_03class='Erythroxylane diterpenoids', structure_taxonomy_classyfire_chemontid=1550.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Prenol lipids', structure_taxonomy_classyfire_04directparent='Sesquiterpenoids', organism_wikidata='http://www.wikidata.org/entity/Q2946677', organism_name='Ceriops tagal', organism_taxonomy_gbifid='3086518', organism_taxonomy_ncbiid=61143.0, organism_taxonomy_ottid=163833.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Malpighiales', family='Rhizophoraceae', tribe=nan, genus='Ceriops', species='Ceriops tagal', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q52709985', reference_doi='10.1021/NP100484W', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q27109294', structure_inchikey='CQKNELOTFUSOTP-HMTIOLNVSA-N', structure_inchi='InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/b11-10+/t16-,17+,18-/m0/s1', structure_smiles='CCCCCCCCC/C=C/CCCC@@HC@@HC@@HCO', structure_molecular_formula='C18H37NO3', structure_exact_mass=315.277344044, structure_xlogp=2.895, structure_smiles_2d='CCCCCCCCCC=CCCCC(O)C(O)C(N)CO', structure_cid=14757418.0, structure_name_iupac='(E,2S,3S,4R)-2-aminooctadec-8-ene-1,3,4-triol', structure_name_traditional='Dehydrophytosphingosine', structure_stereocenters_total=3, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Fatty acids', structure_taxonomy_npclassifier_02superclass='Sphingolipids', structure_taxonomy_npclassifier_03class='Sphingoid bases', structure_taxonomy_classyfire_chemontid=1852.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Organic nitrogen compounds', structure_taxonomy_classyfire_03class='Organonitrogen compounds', structure_taxonomy_classyfire_04directparent='1,3-aminoalcohols', organism_wikidata='http://www.wikidata.org/entity/Q237465', organism_name='Averrhoa bilimbi', organism_taxonomy_gbifid='2891640', organism_taxonomy_ncbiid=245205.0, organism_taxonomy_ottid=829006.0, 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structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Meroterpenoids', structure_taxonomy_npclassifier_03class='Meromonoterpenoids', structure_taxonomy_classyfire_chemontid=3410.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Organoheterocyclic compounds', structure_taxonomy_classyfire_03class='Benzopyrans', structure_taxonomy_classyfire_04directparent='1-benzopyrans', organism_wikidata='http://www.wikidata.org/entity/Q716542', organism_name='Aquilaria sinensis', organism_taxonomy_gbifid='5523984', organism_taxonomy_ncbiid=210372.0, organism_taxonomy_ottid=215671.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Malvales', family='Thymelaeaceae', tribe=nan, genus='Aquilaria', species='Aquilaria sinensis', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q105011798', reference_doi='10.1002/HLCA.200900307', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q27097877', structure_inchikey='SOECUQMRSRVZQQ-UHFFFAOYSA-N', structure_inchi='InChI=1S/C14H18O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6H,7H2,1-5H3', structure_smiles='COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O', structure_molecular_formula='C14H18O4', structure_exact_mass=250.120509056, structure_xlogp=2.3154000000000003, structure_smiles_2d='COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O', structure_cid=4462.0, structure_name_iupac='2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione', structure_name_traditional='Ubiquinone-1', structure_stereocenters_total=0, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Meroterpenoids', structure_taxonomy_npclassifier_03class='Prenyl quinone meroterpenoids', structure_taxonomy_classyfire_chemontid=1545.0, 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structure_smiles='CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO', structure_molecular_formula='C21H36O4', structure_exact_mass=352.261359632, structure_xlogp=4.4723, structure_smiles_2d='CCC=CCC=CCC=CCCCCCCCC(=O)OC(CO)CO', structure_cid=11674746.0, structure_name_iupac='1,3-dihydroxypropan-2-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate', structure_name_traditional='2-Monolinolenin', structure_stereocenters_total=0, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Fatty acids', structure_taxonomy_npclassifier_02superclass='Glycerolipids', structure_taxonomy_npclassifier_03class='Monoacylglycerols', structure_taxonomy_classyfire_chemontid=504.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Fatty Acyls', structure_taxonomy_classyfire_04directparent='Lineolic acids and derivatives', organism_wikidata='http://www.wikidata.org/entity/Q10660730', organism_name='Halimodendron halodendron', organism_taxonomy_gbifid=nan, organism_taxonomy_ncbiid=47657.0, organism_taxonomy_ottid=761641.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Fabales', family='Fabaceae', tribe='Caraganeae', genus='Halimodendron', species='Halimodendron halodendron', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q104415069', reference_doi='10.1016/J.PHYTOL.2011.06.004', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q105329620', structure_inchikey='XKOIGMCEYNMHJA-LMRHUEGFSA-N', structure_inchi='InChI=1S/C21H34O4/c1-13(11-22)14-5-6-16-15(9-14)17(25-4)10-18-20(16,2)8-7-19(24)21(18,3)12-23/h9,14,16-19,22-24H,1,5-8,10-12H2,2-4H3/t14-,16-,17+,18+,19-,20+,21-/m1/s1', structure_smiles='C=C(CO)[C@H]1C=C2C@@HC[C@@H]3C@@(CO)C@HCC[C@@]3(C)[C@@H]2CC1', structure_molecular_formula='C21H34O4', structure_exact_mass=350.245709568, structure_xlogp=2.682, structure_smiles_2d='C=C(CO)C1C=C2C(OC)CC3C(C)(CO)C(O)CCC3(C)C2CC1', structure_cid=16079985.0, structure_name_iupac='(1S,2R,4aS,4bS,7R,9S,10aS)-1-(hydroxymethyl)-7-(3-hydroxyprop-1-en-2-yl)-9-methoxy-1,4a-dimethyl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthren-2-ol', structure_name_traditional='Parvifoline N', structure_stereocenters_total=7, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Diterpenoids', structure_taxonomy_npclassifier_03class='Pimarane and Isopimarane diterpenoids', structure_taxonomy_classyfire_chemontid=1551.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Prenol lipids', structure_taxonomy_classyfire_04directparent='Diterpenoids', 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structure_smiles_2d='CCC(=O)OCC(C)=CCCC1(C)OC2(C)C=CC1CC2', structure_cid=15043228.0, structure_name_iupac='[(E)-5-[(1S,3S,4R)-1,3-dimethyl-2-oxabicyclo[2.2.2]oct-5-en-3-yl]-2-methylpent-2-enyl] propanoate', structure_name_traditional='[(E)-5-[(1S,3S,4R)-1,3-dimethyl-2-oxabicyclo[2.2.2]oct-5-en-3-yl]-2-methylpent-2-enyl] propanoate', structure_stereocenters_total=3, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Sesquiterpenoids', structure_taxonomy_npclassifier_03class='Bisabolane sesquiterpenoids', structure_taxonomy_classyfire_chemontid=86.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Organoheterocyclic compounds', structure_taxonomy_classyfire_03class='Pyrans', structure_taxonomy_classyfire_04directparent='Pyrans', organism_wikidata='http://www.wikidata.org/entity/Q28934733', organism_name='Artemisia sieberi', 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structure_smiles_2d='CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCCN', structure_cid=90657442.0, structure_name_iupac='2-azaniumylethyl [(2R)-2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] phosphate', structure_name_traditional='1-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine', structure_stereocenters_total=2, structure_stereocenters_unspecified=1, structure_taxonomy_npclassifier_01pathway='Fatty acids', structure_taxonomy_npclassifier_02superclass='Glycerophospholipids', structure_taxonomy_npclassifier_03class='Glycerophosphoethanolamines', structure_taxonomy_classyfire_chemontid=1677.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Glycerophospholipids', structure_taxonomy_classyfire_04directparent='1-acyl-sn-glycero-3-phosphoethanolamines', organism_wikidata='http://www.wikidata.org/entity/Q30046', organism_name='Vitis vinifera', 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structure_name_iupac='11-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-5,9-dimethylundeca-2,4,6,8,10-pentaenal', structure_name_traditional='11-(4-Hydroxy-2,6,6-trimethylcyclohexen-1-yl)-5,9-dimethylundeca-2,4,6,8,10-pentaenal', structure_stereocenters_total=1, structure_stereocenters_unspecified=1, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Apocarotenoids', structure_taxonomy_npclassifier_03class='Apocarotenoids (β-)', structure_taxonomy_classyfire_chemontid=1551.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Prenol lipids', structure_taxonomy_classyfire_04directparent='Diterpenoids', organism_wikidata='http://www.wikidata.org/entity/Q23501', organism_name='Solanum lycopersicum', organism_taxonomy_gbifid='2930137', organism_taxonomy_ncbiid=4081.0, organism_taxonomy_ottid=378964.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Solanales', family='Solanaceae', tribe='Solaneae', genus='Solanum', species='Solanum lycopersicum', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q60953787', reference_doi='10.3390/MOLECULES23123330', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q82639151', structure_inchikey='BNMYUQILBYIYOG-UHFFFAOYSA-N', structure_inchi='InChI=1S/C18H28O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)', structure_smiles='CCC=CCC(=O)C=CC=CCCCCCCCC(=O)O', structure_molecular_formula='C18H28O3', structure_exact_mass=292.203844756, structure_xlogp=4.8395, structure_smiles_2d='CCC=CCC(=O)C=CC=CCCCCCCCC(=O)O', structure_cid=53691468.0, structure_name_iupac='13-oxooctadeca-9,11,15-trienoic acid', structure_name_traditional='13-Oxooctadeca-9,11,15-trienoic acid', structure_stereocenters_total=0, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Fatty acids', structure_taxonomy_npclassifier_02superclass='Octadecanoids', structure_taxonomy_npclassifier_03class='Other Octadecanoids', structure_taxonomy_classyfire_chemontid=504.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Fatty Acyls', structure_taxonomy_classyfire_04directparent='Lineolic acids and derivatives', organism_wikidata='http://www.wikidata.org/entity/Q161290', organism_name='Galeopsis bifida', organism_taxonomy_gbifid='5341303', organism_taxonomy_ncbiid=572113.0, organism_taxonomy_ottid=391749.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Lamiaceae', tribe=nan, genus='Galeopsis', species='Galeopsis bifida', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q104935604', reference_doi='10.1007/BF00575742', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q105214962', structure_inchikey='PTXPYBHMAVQSPJ-RZPWNMGNSA-N', structure_inchi='InChI=1S/C21H36O4/c1-14(13-18(23)25-6)12-17(22)21(5)15(2)9-11-19(3)16(21)8-7-10-20(19,4)24/h13,15-17,22,24H,7-12H2,1-6H3/b14-13+/t15-,16+,17-,19-,20+,21+/m1/s1', structure_smiles='COC(=O)/C=C(\C)CC@@H[C@@]1(C)C@HCC[C@]2(C)[C@@H]1CCC[C@]2(C)O', structure_molecular_formula='C21H36O4', structure_exact_mass=352.261359632, structure_xlogp=3.8503, structure_smiles_2d='COC(=O)C=C(C)CC(O)C1(C)C(C)CCC2(C)C1CCCC2(C)O', structure_cid=102212886.0, structure_name_iupac='methyl (E,5R)-5-[(1S,2R,4aR,5S,8aR)-5-hydroxy-1,2,4a,5-tetramethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-5-hydroxy-3-methylpent-2-enoate', structure_name_traditional='Isoscoparin B', structure_stereocenters_total=6, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Diterpenoids', structure_taxonomy_npclassifier_03class='Colensane and Clerodane diterpenoids', structure_taxonomy_classyfire_chemontid=1757.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Prenol lipids', structure_taxonomy_classyfire_04directparent='Colensane and clerodane diterpenoids', organism_wikidata='http://www.wikidata.org/entity/Q15331908', organism_name='Isodon scoparius', organism_taxonomy_gbifid='5608855', organism_taxonomy_ncbiid=662927.0, organism_taxonomy_ottid=1017555.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Lamiaceae', tribe='Ocimeae', genus='Isodon', species='Isodon scoparius', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q104415532', reference_doi='10.1002/HLCA.200490257', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q415885', structure_inchikey='VZCCETWTMQHEPK-QNEBEIHSSA-N', structure_inchi='InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-', structure_smiles='CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O', structure_molecular_formula='C18H30O2', structure_exact_mass=278.2245802, structure_xlogp=5.660500000000005, structure_smiles_2d='CCCCCC=CCC=CCC=CCCCCC(=O)O', structure_cid=5280933.0, structure_name_iupac='(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid', structure_name_traditional='gamma-Linolenic acid', structure_stereocenters_total=0, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Fatty acids', structure_taxonomy_npclassifier_02superclass='Fatty Acids and Conjugates', structure_taxonomy_npclassifier_03class='Unsaturated fatty acids', structure_taxonomy_classyfire_chemontid=504.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Fatty Acyls', structure_taxonomy_classyfire_04directparent='Lineolic acids and derivatives', organism_wikidata='http://www.wikidata.org/entity/Q7439304', organism_name='Scrophularia lanceolata', organism_taxonomy_gbifid='3170878', organism_taxonomy_ncbiid=942075.0, organism_taxonomy_ottid=649909.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Scrophulariaceae', tribe='Scrophularieae', genus='Scrophularia', species='Scrophularia lanceolata', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q104247878', reference_doi='10.1016/B0-12-227055-X/00448-X', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q105214962', structure_inchikey='PTXPYBHMAVQSPJ-RZPWNMGNSA-N', structure_inchi='InChI=1S/C21H36O4/c1-14(13-18(23)25-6)12-17(22)21(5)15(2)9-11-19(3)16(21)8-7-10-20(19,4)24/h13,15-17,22,24H,7-12H2,1-6H3/b14-13+/t15-,16+,17-,19-,20+,21+/m1/s1', structure_smiles='COC(=O)/C=C(\C)CC@@H[C@@]1(C)C@HCC[C@]2(C)[C@@H]1CCC[C@]2(C)O', structure_molecular_formula='C21H36O4', structure_exact_mass=352.261359632, structure_xlogp=3.8503, structure_smiles_2d='COC(=O)C=C(C)CC(O)C1(C)C(C)CCC2(C)C1CCCC2(C)O', structure_cid=102212886.0, structure_name_iupac='methyl (E,5R)-5-[(1S,2R,4aR,5S,8aR)-5-hydroxy-1,2,4a,5-tetramethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-5-hydroxy-3-methylpent-2-enoate', structure_name_traditional='Isoscoparin B', structure_stereocenters_total=6, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Diterpenoids', structure_taxonomy_npclassifier_03class='Colensane and Clerodane diterpenoids', structure_taxonomy_classyfire_chemontid=1757.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Prenol lipids', structure_taxonomy_classyfire_04directparent='Colensane and clerodane diterpenoids', organism_wikidata='http://www.wikidata.org/entity/Q15331908', organism_name='Isodon scoparius', organism_taxonomy_gbifid='5608855', organism_taxonomy_ncbiid=662927.0, organism_taxonomy_ottid=1017555.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Lamiaceae', tribe='Ocimeae', genus='Isodon', species='Isodon scoparius', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q104415532', reference_doi='10.1002/HLCA.200490257', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q105131936', structure_inchikey='JNIPNHCEUZIVID-UHFFFAOYSA-N', structure_inchi='InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,15-16H,2,5,8,11-14,17H2,1H3,(H,19,20)', structure_smiles='CCC=CCC=CCC=CCCCCC=CCC(=O)O', structure_molecular_formula='C18H28O2', structure_exact_mass=276.208930136, structure_xlogp=5.4365, structure_smiles_2d='CCC=CCC=CCC=CCCCCC=CCC(=O)O', structure_cid=78382129.0, structure_name_iupac='octadeca-3,9,12,15-tetraenoic acid', structure_name_traditional='Octadeca-3,9,12,15-tetraenoic acid', structure_stereocenters_total=0, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Fatty acids', structure_taxonomy_npclassifier_02superclass='Fatty Acids and Conjugates', structure_taxonomy_npclassifier_03class='Unsaturated fatty acids', structure_taxonomy_classyfire_chemontid=504.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Fatty Acyls', structure_taxonomy_classyfire_04directparent='Lineolic acids and derivatives', organism_wikidata='http://www.wikidata.org/entity/Q119954', organism_name='Tecoma stans', organism_taxonomy_gbifid='c("7777229", "3172492")', organism_taxonomy_ncbiid=69904.0, organism_taxonomy_ottid=540914.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Bignoniaceae', tribe='Tecomeae', genus='Tecoma', species='Tecoma stans', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q105131934', reference_doi='10.1039/JR9650000907', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q81988149', structure_inchikey='LUZSWWYKKLTDHU-UHFFFAOYSA-N', structure_inchi='InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)', structure_smiles='CCCCCC=CC=CC(=O)CCCCCCCC(=O)O', structure_molecular_formula='C18H30O3', structure_exact_mass=294.21949482, structure_xlogp=5.0635, structure_smiles_2d='CCCCCC=CC=CC(=O)CCCCCCCC(=O)O', structure_cid=193923.0, structure_name_iupac='9-oxooctadeca-10,12-dienoic acid', structure_name_traditional='9-Oxooctadeca-10,12-dienoic acid', structure_stereocenters_total=0, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway=nan, structure_taxonomy_npclassifier_02superclass=nan, structure_taxonomy_npclassifier_03class=nan, structure_taxonomy_classyfire_chemontid=504.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Fatty Acyls', structure_taxonomy_classyfire_04directparent='Lineolic acids and derivatives', organism_wikidata='http://www.wikidata.org/entity/Q161290', organism_name='Galeopsis bifida', organism_taxonomy_gbifid='5341303', organism_taxonomy_ncbiid=572113.0, organism_taxonomy_ottid=391749.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Lamiaceae', tribe=nan, genus='Galeopsis', species='Galeopsis bifida', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q104935604', reference_doi='10.1007/BF00575742', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q81988149', structure_inchikey='LUZSWWYKKLTDHU-UHFFFAOYSA-N', structure_inchi='InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)', structure_smiles='CCCCCC=CC=CC(=O)CCCCCCCC(=O)O', structure_molecular_formula='C18H30O3', structure_exact_mass=294.21949482, structure_xlogp=5.0635, structure_smiles_2d='CCCCCC=CC=CC(=O)CCCCCCCC(=O)O', structure_cid=193923.0, structure_name_iupac='9-oxooctadeca-10,12-dienoic acid', structure_name_traditional='9-Oxooctadeca-10,12-dienoic acid', structure_stereocenters_total=0, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway=nan, structure_taxonomy_npclassifier_02superclass=nan, structure_taxonomy_npclassifier_03class=nan, structure_taxonomy_classyfire_chemontid=504.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Fatty Acyls', structure_taxonomy_classyfire_04directparent='Lineolic acids and derivatives', organism_wikidata='http://www.wikidata.org/entity/Q161290', organism_name='Galeopsis bifida', organism_taxonomy_gbifid='5341303', organism_taxonomy_ncbiid=572113.0, organism_taxonomy_ottid=391749.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Lamiaceae', tribe=nan, genus='Galeopsis', species='Galeopsis bifida', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q104935604', reference_doi='10.1007/BF00575742', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q105239955', structure_inchikey='RLGBUTVIBWFTRW-IIEYBPOLSA-N', structure_inchi='InChI=1S/C27H36O3/c1-24(2)20-11-13-27-12-10-18(26(4,30)16-27)14-21(27)25(20,3)15-19(23(24)29)22(28)17-8-6-5-7-9-17/h5-10,12,18-22,28,30H,11,13-16H2,1-4H3/t18-,19+,20+,21-,22+,25+,26-,27+/m0/s1', structure_smiles='CC1(C)C(=O)C@@HC[C@]2(C)[C@@H]1CC[C@@]13C=CC@@HC@@(O)C3', structure_molecular_formula='C27H36O3', structure_exact_mass=408.266445012, structure_xlogp=5.08490000000001, structure_smiles_2d='CC1(O)CC23C=CC1CC2C1(C)CC(C(O)c2ccccc2)C(=O)C(C)(C)C1CC3', structure_cid=163033305.0, structure_name_iupac='(1R,4S,7R,9S,10S,12R,16S)-16-hydroxy-7-[(S)-hydroxy(phenyl)methyl]-5,5,9,16-tetramethyltetracyclo[10.2.2.01,10.04,9]hexadec-13-en-6-one', structure_name_traditional='(1R,4S,7R,9S,10S,12R,16S)-16-hydroxy-7-[(S)-hydroxy(phenyl)methyl]-5,5,9,16-tetramethyltetracyclo[10.2.2.01,10.04,9]hexadec-13-en-6-one', structure_stereocenters_total=8, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Diterpenoids', structure_taxonomy_npclassifier_03class='Atisane diterpenoids', structure_taxonomy_classyfire_chemontid=2738.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Prenol lipids', structure_taxonomy_classyfire_04directparent='Atisane diterpenoids', organism_wikidata='http://www.wikidata.org/entity/Q15361880', organism_name='Androstachys johnsonii', organism_taxonomy_gbifid='4938911', organism_taxonomy_ncbiid=112813.0, organism_taxonomy_ottid=510615.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Malpighiales', family='Picrodendraceae', tribe=nan, genus='Androstachys', species='Androstachys johnsonii', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q104969803', reference_doi='10.1039/P19850000703', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q105204818', structure_inchikey='PAUIQDPAEDELMC-CKBMHYDUSA-N', structure_inchi='InChI=1S/C25H34O2/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-24-22(4)16-23(27)17-25(24,5)6/h7-15,18,23,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10-,20-13+,21-11+/t23-/m1/s1', structure_smiles='CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(/C)C=O)C(C)(C)CC@HC1', structure_molecular_formula='C25H34O2', structure_exact_mass=366.255880328, structure_xlogp=6.19020000000001, structure_smiles_2d='CC(C=O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C', structure_cid=162911347.0, structure_name_iupac='(2E,4E,6Z,8E,10E,12E)-13-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-2,7,11-trimethyltrideca-2,4,6,8,10,12-hexaenal', structure_name_traditional='(2E,4E,6Z,8E,10E,12E)-13-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-2,7,11-trimethyltrideca-2,4,6,8,10,12-hexaenal', structure_stereocenters_total=1, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Apocarotenoids', structure_taxonomy_npclassifier_03class='Apocarotenoids (β-)', structure_taxonomy_classyfire_chemontid=1551.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Prenol lipids', structure_taxonomy_classyfire_04directparent='Diterpenoids', organism_wikidata='http://www.wikidata.org/entity/Q1380', organism_name='Capsicum annuum', organism_taxonomy_gbifid='2932944', organism_taxonomy_ncbiid=4072.0, organism_taxonomy_ottid=473836.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Solanales', family='Solanaceae', tribe='Capsiceae', genus='Capsicum', species='Capsicum annuum', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q43582376', reference_doi='10.1021/JF0013149', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q105018399', structure_inchikey='GTBFQOGSRWBGDY-UJHNSAFVSA-N', structure_inchi='InChI=1S/C27H34O/c1-24(2)21-11-13-27-15-14-25(3,18-27)12-10-22(27)26(21,4)17-20(23(24)28)16-19-8-6-5-7-9-19/h5-9,14-16,21-22H,10-13,17-18H2,1-4H3/b20-16+/t21-,22+,25-,26-,27+/m1/s1', structure_smiles='CC1(C)C(=O)/C(=C/c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=CC@@(CC[C@H]12)C3', structure_molecular_formula='C27H34O', structure_exact_mass=374.260965708, structure_xlogp=6.84790000000001, structure_smiles_2d='CC12C=CC3(CCC4C(C)(C)C(=O)C(=Cc5ccccc5)CC4(C)C3CC1)C2', structure_cid=163189749.0, structure_name_iupac='(1R,4S,7E,9S,10S,13S)-7-benzylidene-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-6-one', structure_name_traditional='(1R,4S,7E,9S,10S,13S)-7-benzylidene-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-6-one', structure_stereocenters_total=5, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Diterpenoids', structure_taxonomy_npclassifier_03class='Beyerane diterpenoids', structure_taxonomy_classyfire_chemontid=1551.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Prenol lipids', structure_taxonomy_classyfire_04directparent='Diterpenoids', organism_wikidata='http://www.wikidata.org/entity/Q15361880', organism_name='Androstachys johnsonii', organism_taxonomy_gbifid='4938911', organism_taxonomy_ncbiid=112813.0, organism_taxonomy_ottid=510615.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Malpighiales', family='Picrodendraceae', tribe=nan, genus='Androstachys', species='Androstachys johnsonii', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q104969803', reference_doi='10.1039/P19850000703', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q63408714', structure_inchikey='HQPQTQQUHPFUOA-ZCPYHVQDSA-N', structure_inchi='InChI=1S/C27H36O2/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-26-24(4)19-25(29)20-27(26,5)6/h7-18,25,29H,19-20H2,1-6H3/b8-7+,13-9+,15-10+,17-16+,21-11+,22-12+,23-14+/t25-/m1/s1', structure_smiles='CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=O)C(C)(C)CC@HC1', structure_molecular_formula='C27H36O2', structure_exact_mass=392.271530392, structure_xlogp=6.74640000000001, structure_smiles_2d='CC(C=CC=O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C', structure_cid=101716225.0, structure_name_iupac='(2E,4E,6E,8E,10E,12E,14E)-15-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-4,9,13-trimethylpentadeca-2,4,6,8,10,12,14-heptaenal', structure_name_traditional="10'-Apozeaxanthinal", structure_stereocenters_total=1, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Apocarotenoids', structure_taxonomy_npclassifier_03class='Apocarotenoids (β-)', structure_taxonomy_classyfire_chemontid=1552.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Prenol lipids', structure_taxonomy_classyfire_04directparent='Sesterterpenoids', organism_wikidata='http://www.wikidata.org/entity/Q1380', organism_name='Capsicum annuum', organism_taxonomy_gbifid='2932944', organism_taxonomy_ncbiid=4072.0, organism_taxonomy_ottid=473836.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Solanales', family='Solanaceae', tribe='Capsiceae', genus='Capsicum', species='Capsicum annuum', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q43582376', reference_doi='10.1021/JF0013149', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q104396729', structure_inchikey='QFIHQWXKTUONPL-UHFFFAOYSA-N', structure_inchi='InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h14-17H,2-13H2,1H3,(H2,19,20)', structure_smiles='CCCCCCCCCCCCCC=CC=CC(N)=O', structure_molecular_formula='C18H33NO', structure_exact_mass=279.256214676, structure_xlogp=5.28520000000001, structure_smiles_2d='CCCCCCCCCCCCCC=CC=CC(N)=O', structure_cid=54225156.0, structure_name_iupac='octadeca-2,4-dienamide', structure_name_traditional='Octadecadienamide', structure_stereocenters_total=0, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway=nan, structure_taxonomy_npclassifier_02superclass=nan, structure_taxonomy_npclassifier_03class=nan, structure_taxonomy_classyfire_chemontid=2484.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Organic acids and derivatives', structure_taxonomy_classyfire_03class='Carboximidic acids and derivatives', structure_taxonomy_classyfire_04directparent='Carboximidic acids', organism_wikidata='http://www.wikidata.org/entity/Q685336', organism_name='Piper longum', organism_taxonomy_gbifid='3086338', organism_taxonomy_ncbiid=49511.0, organism_taxonomy_ottid=97780.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Piperales', family='Piperaceae', tribe=nan, genus='Piper', species='Piper longum', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q104388405', reference_doi='10.1248/CPB.31.3562', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q105364491', structure_inchikey='YURWZDJEVHQYGV-DOJUMQAQSA-N', structure_inchi='InChI=1S/C19H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22-2/h10-11,18,20H,3-9,12-17H2,1-2H3/b11-10+/t18-/m1/s1', structure_smiles='CCCCCCCC/C=C/CCCCCCC@@HC(=O)OC', structure_molecular_formula='C19H36O3', structure_exact_mass=312.266445012, structure_xlogp=5.16770000000001, structure_smiles_2d='CCCCCCCCC=CCCCCCCC(O)C(=O)OC', structure_cid=102376544.0, structure_name_iupac='methyl (E,2R)-2-hydroxyoctadec-9-enoate', structure_name_traditional='(2R,9E)-2-Hydroxy-9-octadecenoic acid methyl ester', structure_stereocenters_total=1, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Fatty acids', structure_taxonomy_npclassifier_02superclass='Fatty Acids and Conjugates', structure_taxonomy_npclassifier_03class='Hydroxy fatty acids', structure_taxonomy_classyfire_chemontid=2951.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Fatty Acyls', structure_taxonomy_classyfire_04directparent='Long-chain fatty alcohols', organism_wikidata='http://www.wikidata.org/entity/Q769865', organism_name='Salvia nilotica', organism_taxonomy_gbifid='7789868', organism_taxonomy_ncbiid=268918.0, organism_taxonomy_ottid=861976.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Lamiaceae', tribe='Mentheae', genus='Salvia', species='Salvia nilotica', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q104960062', reference_doi='10.1007/BF02532764', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q104916273', structure_inchikey='APGVHKPCMRXAPJ-UHFFFAOYSA-N', structure_inchi='InChI=1S/C39H60O5/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-38(40)43-29-23-26-35-31-36(41-5)39(37(32-35)42-6)44-30-28-34(4)25-22-24-33(2)3/h11-12,14-15,23-24,26,28,31-32H,7-10,13,16-22,25,27,29-30H2,1-6H3', structure_smiles='CCCCCC=CCC=CCCCCCCCC(=O)OCC=Cc1cc(OC)c(OCC=C(C)CCC=C(C)C)c(OC)c1', structure_molecular_formula='C39H60O5', structure_exact_mass=608.44407502, structure_xlogp=11.1452, structure_smiles_2d='CCCCCC=CCC=CCCCCCCCC(=O)OCC=Cc1cc(OC)c(OCC=C(C)CCC=C(C)C)c(OC)c1', structure_cid=162916143.0, structure_name_iupac='3-[4-(3,7-dimethylocta-2,6-dienoxy)-3,5-dimethoxyphenyl]prop-2-enyl octadeca-9,12-dienoate', structure_name_traditional='3-[4-(3,7-Dimethylocta-2,6-dienoxy)-3,5-dimethoxyphenyl]prop-2-enyl octadeca-9,12-dienoate', structure_stereocenters_total=0, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway=nan, structure_taxonomy_npclassifier_02superclass=nan, structure_taxonomy_npclassifier_03class=nan, structure_taxonomy_classyfire_chemontid=504.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Fatty Acyls', structure_taxonomy_classyfire_04directparent='Lineolic acids and derivatives', organism_wikidata='http://www.wikidata.org/entity/Q15231288', organism_name='Ligularia nelumbifolia', organism_taxonomy_gbifid='5395549', organism_taxonomy_ncbiid=262732.0, organism_taxonomy_ottid=896803.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Asterales', family='Asteraceae', tribe='Senecioneae', genus='Ligularia', species='Ligularia nelumbifolia', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q104384366', reference_doi='10.1016/S0031-9422(00)89547-3', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q105161574', structure_inchikey='MDAUFUALHVJQPD-ZPMBBQANSA-N', structure_inchi='InChI=1S/C45H70O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,38-39,42-46,49-51H,3-4,9-10,15-16,21-22,27-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t38-,39+,42-,43-,44+,45+/m0/s1', structure_smiles='CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OCC@@HOC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC', structure_molecular_formula='C45H70O10', structure_exact_mass=770.49689844, structure_xlogp=7.98890000000001, structure_smiles_2d='CCC=CCC=CCC=CCC=CCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCC=CCC=CCC=CCC=CCC', structure_cid=162844848.0, structure_name_iupac='[(2R)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate', structure_name_traditional='[(2R)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate', structure_stereocenters_total=6, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Fatty acids', structure_taxonomy_npclassifier_02superclass='Glycerolipids', structure_taxonomy_npclassifier_03class='Glycosyldiacylglycerols', structure_taxonomy_classyfire_chemontid=3259.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Glycerolipids', structure_taxonomy_classyfire_04directparent='1,2-diacyl-3-O-beta-D-galactosyl-sn-glycerols', organism_wikidata='http://www.wikidata.org/entity/Q5747757', organism_name='Heterosigma akashiwo', organism_taxonomy_gbifid='3194420', organism_taxonomy_ncbiid=2829.0, organism_taxonomy_ottid=427257.0, domain='Eukaryota', kingdom=nan, phylum=nan, klass='Raphidophyceae', order=nan, family=nan, tribe=nan, genus='Heterosigma', species='Heterosigma akashiwo', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q104982365', reference_doi='10.1248/CPB.40.1404', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q415885', structure_inchikey='VZCCETWTMQHEPK-QNEBEIHSSA-N', structure_inchi='InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-', structure_smiles='CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O', structure_molecular_formula='C18H30O2', structure_exact_mass=278.2245802, structure_xlogp=5.660500000000005, structure_smiles_2d='CCCCCC=CCC=CCC=CCCCCC(=O)O', structure_cid=5280933.0, structure_name_iupac='(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid', structure_name_traditional='gamma-Linolenic acid', structure_stereocenters_total=0, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Fatty acids', structure_taxonomy_npclassifier_02superclass='Fatty Acids and Conjugates', structure_taxonomy_npclassifier_03class='Unsaturated fatty acids', structure_taxonomy_classyfire_chemontid=504.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Fatty Acyls', structure_taxonomy_classyfire_04directparent='Lineolic acids and derivatives', organism_wikidata='http://www.wikidata.org/entity/Q7439304', organism_name='Scrophularia lanceolata', organism_taxonomy_gbifid='3170878', organism_taxonomy_ncbiid=942075.0, organism_taxonomy_ottid=649909.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Scrophulariaceae', tribe='Scrophularieae', genus='Scrophularia', species='Scrophularia lanceolata', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q104247878', reference_doi='10.1016/B0-12-227055-X/00448-X', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q104995000', structure_inchikey='FGPOGAUCGOZVPS-XBLVEGMJSA-N', structure_inchi='InChI=1S/C18H26O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h7-10,13-16,19H,2-6,11-12H2,1H3/b8-7+,10-9+', structure_smiles='CCCCCC/C=C/C=C/CCc1ccc(O)cc1', structure_molecular_formula='C18H26O', structure_exact_mass=258.198365452, structure_xlogp=5.40760000000001, structure_smiles_2d='CCCCCCC=CC=CCCc1ccc(O)cc1', structure_cid=10332757.0, structure_name_iupac='4-[(3E,5E)-dodeca-3,5-dienyl]phenol', structure_name_traditional='Villiramulin B', structure_stereocenters_total=0, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Polyketides', structure_taxonomy_npclassifier_02superclass='Aromatic polyketides', structure_taxonomy_npclassifier_03class='Catechols with side chains', 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structure_taxonomy_npclassifier_02superclass='Triterpenoids', structure_taxonomy_npclassifier_03class='Oleanane triterpenoids', structure_taxonomy_classyfire_chemontid=3243.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Steroids and steroid derivatives', structure_taxonomy_classyfire_04directparent='12-beta-hydroxysteroids', organism_wikidata='http://www.wikidata.org/entity/Q28812808', organism_name='Phlomoides umbrosa', organism_taxonomy_gbifid='3884849', organism_taxonomy_ncbiid=1986521.0, organism_taxonomy_ottid=7054124.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Lamiaceae', tribe='Phlomideae', genus='Phlomoides', species='Phlomoides umbrosa', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q39966671', reference_doi='10.1248/CPB.56.951', 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structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Diterpenoids', structure_taxonomy_npclassifier_03class='Abietane diterpenoids', structure_taxonomy_classyfire_chemontid=1551.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Prenol lipids', structure_taxonomy_classyfire_04directparent='Diterpenoids', organism_wikidata='http://www.wikidata.org/entity/Q53476', organism_name='Lamiaceae', organism_taxonomy_gbifid='2497', organism_taxonomy_ncbiid=4136.0, organism_taxonomy_ottid=544714.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Lamiaceae', tribe=nan, genus=nan, species=nan, varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q83857124', reference_doi='10.1515/ZNC-2006-3-402', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q27145599', structure_inchikey='NSOPGAYUGBZWHL-YTWBPVBXSA-N', structure_inchi='InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-', structure_smiles='CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC', structure_molecular_formula='C39H64O5', structure_exact_mass=612.475375148, structure_xlogp=10.6127, structure_smiles_2d='CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC=CCC=CCC', structure_cid=45934043.0, structure_name_iupac='[2-hydroxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate', structure_name_traditional='1,3-Dilinolenoylglycerol', structure_stereocenters_total=0, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Fatty acids', 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Lotus(structure_wikidata='http://www.wikidata.org/entity/Q27147700', structure_inchikey='XUGISPSHIFXEHZ-VEVYEIKRSA-N', structure_inchi='InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1', structure_smiles='CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC@H[C@@]4(C)CC[C@@H]32)C1', structure_molecular_formula='C29H48O2', structure_exact_mass=428.3654307759999, structure_xlogp=7.959500000000009, structure_smiles_2d='CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1', structure_cid=2723897.0, structure_name_iupac='[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate', structure_name_traditional='Cholesteryl acetate', structure_stereocenters_total=8, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Steroids', structure_taxonomy_npclassifier_03class='Cholestane steroids', structure_taxonomy_classyfire_chemontid=1490.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Steroids and steroid derivatives', structure_taxonomy_classyfire_04directparent='Cholesteryl esters', organism_wikidata='http://www.wikidata.org/entity/Q15339000', organism_name='Aegiphila obducta', organism_taxonomy_gbifid='3891369', organism_taxonomy_ncbiid=nan, organism_taxonomy_ottid=6085974.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Lamiaceae', tribe=nan, genus='Aegiphila', species='Aegiphila obducta', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q104863164', reference_doi='10.1016/0031-9422(92)83637-E', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q27138750', structure_inchikey='BIXWVSLNTIFDQN-UHFFFAOYSA-N', structure_inchi='InChI=1S/C28H46O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h16,18-22,29H,8-15,17H2,1-7H3', structure_smiles='Cc1c(O)cc2c(c1C)OC(C)(CCCC(C)CCCC(C)CCCC(C)C)C=C2', structure_molecular_formula='C28H46O2', structure_exact_mass=414.349780712, structure_xlogp=8.612440000000001, structure_smiles_2d='Cc1c(O)cc2c(c1C)OC(C)(CCCC(C)CCCC(C)CCCC(C)C)C=C2', structure_cid=14657170.0, structure_name_iupac='2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)chromen-6-ol', structure_name_traditional='Dehydro-Gamma-Tocopherol', structure_stereocenters_total=3, structure_stereocenters_unspecified=3, structure_taxonomy_npclassifier_01pathway='Terpenoids', structure_taxonomy_npclassifier_02superclass='Meroterpenoids', structure_taxonomy_npclassifier_03class='Prenyl quinone meroterpenoids', structure_taxonomy_classyfire_chemontid=201.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Lipids and lipid-like molecules', structure_taxonomy_classyfire_03class='Prenol lipids', structure_taxonomy_classyfire_04directparent='Tocopherols', organism_wikidata='http://www.wikidata.org/entity/Q15542709', organism_name='Stemona curtisii', organism_taxonomy_gbifid='2863319', organism_taxonomy_ncbiid=492018.0, organism_taxonomy_ottid=310604.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Pandanales', family='Stemonaceae', tribe=nan, genus='Stemona', species='Stemona curtisii', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q53291373', reference_doi='10.1021/NP100474Y', manual_validation=nan), Lotus(structure_wikidata='http://www.wikidata.org/entity/Q105240442', structure_inchikey='RLQBAGQABRADHE-KTKRTIGZSA-N', structure_inchi='InChI=1S/C28H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26(29)21-18-17-19-25-22-23-27(30)28(31)24-25/h9-10,22-24,30-31H,2-8,11-21H2,1H3/b10-9-', structure_smiles='CCCCCCCC/C=C\CCCCCCCC(=O)CCCCc1ccc(O)c(O)c1', structure_molecular_formula='C28H46O3', structure_exact_mass=430.344695332, structure_xlogp=8.4172, structure_smiles_2d='CCCCCCCCC=CCCCCCCCC(=O)CCCCc1ccc(O)c(O)c1', structure_cid=10574687.0, structure_name_iupac='(Z)-1-(3,4-dihydroxyphenyl)docos-13-en-5-one', structure_name_traditional='(Z)-1-(3,4-Dihydroxyphenyl)-13-docosen-5-one', structure_stereocenters_total=0, structure_stereocenters_unspecified=0, structure_taxonomy_npclassifier_01pathway='Polyketides', structure_taxonomy_npclassifier_02superclass='Aromatic polyketides', structure_taxonomy_npclassifier_03class='Catechols with side chains', structure_taxonomy_classyfire_chemontid=135.0, structure_taxonomy_classyfire_01kingdom='Organic compounds', structure_taxonomy_classyfire_02superclass='Benzenoids', structure_taxonomy_classyfire_03class='Phenols', structure_taxonomy_classyfire_04directparent='Catechols', organism_wikidata='http://www.wikidata.org/entity/Q15352452', organism_name='Plectranthus sylvestris', organism_taxonomy_gbifid='3901252', organism_taxonomy_ncbiid=nan, organism_taxonomy_ottid=6085047.0, domain='Eukaryota', kingdom='Archaeplastida', phylum='Streptophyta', klass='Magnoliopsida', order='Lamiales', family='Lamiaceae', tribe='Ocimeae', genus='Plectranthus', species='Plectranthus sylvestris', varietas=nan, reference_wikidata='http://www.wikidata.org/entity/Q104997679', reference_doi='10.1002/HLCA.19970800209', manual_validation=nan)]

Todo tomorrow, one day ... or never

Today I learned that