anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@@]2(C[C@H](C1)O)[H])[H])(CC[C@@]4([C@@H](CCC(O)=O)C)[H])[H])C)[H])C C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@@]2(C[C@H](C1)O)[H])[H])(CC[C@@]4([C@@H](CCC(O)=O)C)[H])[H])C)[H])C is A monohydroxy-5beta-cholanic acid with a beta-hydroxy substituent at position 3. The 3beta-hydroxy epimer of lithocholic acid. It has the role of xenobiotic metabolite . It has the role of human metabolite . It has the role of rat metabolite . It is a conjugate acid of isolithocholate .    It is also related to or classified as 3beta-hydroxy steroid  . It is also related to or classified as C24-steroid , bile acid , monohydroxy-5beta-cholanic acid .
The molecule CC1CCC(C(=O)C1)C1(C)COC2OC(CO)C(O)C(O)C2O1 CC1CCC(C(=O)C1)C1(C)COC2OC(CO)C(O)C(O)C2O1 is Schizonepetoside B. It is also related to or classified as organic heterobicyclic compound , oxacycle .
The molecule OC[C@H]1O[C@@H](Oc2c(O)c(O)cc3O[C@@H](CC(=O)c23)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](Oc2c(O)c(O)cc3O[C@@H](CC(=O)c23)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O is A flavanone glycoside that is  carthamidin attached to a beta-D-glucopyranosyl residue at position 5 via a glycosidic linkage. It has the role of plant metabolite . Its functional parent is carthamidin . It is also related to or classified as 4'-hydroxyflavanones  . It is also related to or classified as trihydroxyflavanone , flavanone glycoside .
The molecule O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O[Ca]OC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O[Ca]OC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O is D-Galacturonic acid calcium salt. It is also related to or classified as carbohydrate acid derivative .
The molecule Cc1cc2oc3cc(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c(=O)c2cc1C Cc1cc2oc3cc(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c(=O)c2cc1C is A xanthone glycoside that is 9H-xanthene substituted by a hydroxy group at position 3, methyl groups at positions 6 and 7, an oxo group at position 9 and a beta-D-glucopyranosyloxy group at position 1. It has the role of plant metabolite . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as phenols  . It is also related to or classified as monosaccharide derivative , xanthone glycoside .
The molecule COc1cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c(O)c1OC COc1cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c(O)c1OC is A tetrahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 5, 3' and 4' and methoxy groups at positions 6 and 7 respectively. Its functional parent is flavone .  It is also related to or classified as flavonols  . It is also related to or classified as tetrahydroxyflavone  . It is also related to or classified as dimethoxyflavone .
The molecule COc1cc(O)c(C[C@@H](CCC(C)(C)O)C(C)=C)c2O[C@@H](CC(=O)c12)c1ccc(O)cc1O COc1cc(O)c(C[C@@H](CCC(C)(C)O)C(C)=C)c2O[C@@H](CC(=O)c12)c1ccc(O)cc1O is A trihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 7, 2' and 4' , a methoxy group at position 5 and a (2S)-5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl group at position 8 respectively. It has the role of antioxidant . It has the role of anti-inflammatory agent . It has the role of plant metabolite . Its functional parent is (2S)-flavanone . It is also related to or classified as 4'-hydroxyflavanones  . It is also related to or classified as monomethoxyflavanone , trihydroxyflavanone .
The molecule CC(=C)[C@@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O CC(=C)[C@@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O is alpha-Allokainic acid. It is also related to or classified as dicarboxylic acid , pyrrolidinecarboxylic acid , L-proline derivative .
The molecule COc1cc2oc(cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)-c1ccc(O)cc1 COc1cc2oc(cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)-c1ccc(O)cc1 is A flavone C-glycoside that is flavone substituted by hydroxy groups at positions 5 and 4', a methoxy group at position 7 and a 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl residue at position 6 via a C-glycosidic linkage. It has the role of anxiolytic drug . It has the role of plant metabolite . Its functional parent is flavone . It is also related to or classified as monomethoxyflavone  . It is also related to or classified as dihydroxyflavone , flavone C-glycoside .
The molecule C(C(CP(=O)(O)[H])(C(O)=O)O)C(O)=O C(C(CP(=O)(O)[H])(C(O)=O)O)C(O)=O is A 2-hydroxydicarboxylic acid that is malic acid carrying an additional phosphinomethyl substituent at position 2. It has the role of bacterial metabolite . Its functional parent is malic acid . It is a conjugate acid of 2-phosphinomethylmalate(3-) . It is also related to or classified as phosphinic acids , 2-hydroxydicarboxylic acid .
The molecule COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)cc1 COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)cc1 is A dimethoxyflavone that is flavone substituted by methoxy groups at positions 6 and 7 and hydroxy groups at positions 5 and 4' respectively. Its functional parent is flavone . It is also related to or classified as dimethoxyflavone , dihydroxyflavone .
The molecule [C@@]12(C(CC[C@H](C1)C(C)=C)=CC(C[C@H]2C)=O)C [C@@]12(C(CC[C@H](C1)C(C)=C)=CC(C[C@H]2C)=O)C is A sesquiterpenoid that is 4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one which is substituted by methyl groups at positions 4 and 4a, and by an isopropenyl group at position 6 (the 4R,4aS,6R stereoisomer). It has the role of fragrance . It has the role of insect repellent . It has the role of plant metabolite .   It is also related to or classified as enone  . It is also related to or classified as sesquiterpenoid , carbobicyclic compound .
The molecule C12=C[C@H](C[C@H]([C@@]1(C[C@@H](CC2)C(=C)C)C)C)O C12=C[C@H](C[C@H]([C@@]1(C[C@@H](CC2)C(=C)C)C)C)O is A 4,4a-dimethyl-6-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol with (2S,4R,4aS,6R) stereochemistry. It has the role of plant metabolite . It is also related to or classified as 6-isopropenyl-4,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol  .
The molecule C1(=CC=C(C(=C1)OC)O)/C=C/C(O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)=O C1(=CC=C(C(=C1)OC)O)/C=C/C(O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)=O is A beta-D-glucoside resulting from the formal condensation of the carboxy group of ferulic acid with the anomeric hydroxy group of beta-D-glucose. It has the role of antioxidant . It has the role of plant metabolite . Its functional parent is trans-ferulic acid . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as phenols  . It is also related to or classified as aromatic ether , cinnamate ester .
The molecule COc1cc(c(O)cc1O)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1 COc1cc(c(O)cc1O)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1 is A trihydroxyflavone that is flavone substituted by hydroxy groups at positions 2', 4' and 5 and methoxy groups at positions 5', 6 and 7 respectively. It has the role of EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor . It has the role of EC 3.2.1.20 (alpha-glucosidase) inhibitor . It has the role of plant metabolite . Its functional parent is flavone . It is also related to or classified as trihydroxyflavone , trimethoxyflavone .
The molecule COC(=O)CCCCCCC(=O)OC COC(=O)CCCCCCC(=O)OC is Dimethyl suberate. It is also related to or classified as fatty acid methyl ester  .
The molecule CN[C@H]1[C@H](O)[C@@H](O)[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)[C@@H]1O CN[C@H]1[C@H](O)[C@@H](O)[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)[C@@H]1O is Fortimicin KL1. It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .
The molecule C[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]2O)[C@@H](N)C[C@@H]1NC(=N)C(O)=O C[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]2O)[C@@H](N)C[C@@H]1NC(=N)C(O)=O is an amino cyclitol glycoside that is isolated from Streptomyces kasugaensis and exhibits antibiotic and fungicidal properties. It has the role of protein synthesis inhibitor . It has the role of bacterial metabolite . It has the role of antifungal agrochemical .   It is also related to or classified as carboxamidine  . It is also related to or classified as amino cyclitol glycoside , aminoglycoside antibiotic , monosaccharide derivative , antibiotic fungicide .
The molecule [C@@H]1(N2C(NC(=O)C(=C2)C)=O)O[C@H](COP(OP(O[C@H]3O[C@@H]([C@H](CC3)N)C)(=O)O)(=O)O)[C@H](C1)O [C@@H]1(N2C(NC(=O)C(=C2)C)=O)O[C@H](COP(OP(O[C@H]3O[C@@H]([C@H](CC3)N)C)(=O)O)(=O)O)[C@H](C1)O is A pyrimidine nucleotide-sugar having thymine as the nucleobase and 4-amino-2,3,4,6-tetradeoxy-alpha-D-glucose as the sugar component. It has the role of bacterial metabolite . It is a conjugate acid of dTDP-4-ammonio-2,3,4,6-tetradeoxy-alpha-D-glucose(1-) . It is also related to or classified as pyrimidine nucleotide-sugar .
The molecule [H][C@]12CC3=C([C@@]1([H])OC(=O)\C2=C\O[C@@H]1OC(=O)C(C)=C1)C(C)(C)CCC3 [H][C@]12CC3=C([C@@]1([H])OC(=O)\C2=C\O[C@@H]1OC(=O)C(C)=C1)C(C)(C)CCC3 is an indenofuran in which the hydroxy group of the 5-deoxystrigol ABC-rings in substituted by a [(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy group. It has the role of plant metabolite . Its functional parent is 5-deoxystrigol ABC-rings . It is also related to or classified as indenofuran , strigolactone .
The molecule [C@@H]1(N2C(NC(=O)C(=C2)C)=O)O[C@H](COP(OP(O[C@H]3O[C@@H](C(CC3)=O)C)(=O)O)(=O)O)[C@H](C1)O [C@@H]1(N2C(NC(=O)C(=C2)C)=O)O[C@H](COP(OP(O[C@H]3O[C@@H](C(CC3)=O)C)(=O)O)(=O)O)[C@H](C1)O is A pyrimidine nucleotide-sugar having thymine as the nucleobase and 4-dehydro-2,3,6-trideoxy-alpha-D-glucose as the sugar component. It has the role of bacterial metabolite . It is a conjugate acid of dTDP-4-dehydro-2,3,6-trideoxy-alpha-D-glucose(2-) . It is also related to or classified as pyrimidine nucleotide-sugar .
The molecule [C@@H]1(N2C(NC(=O)C(=C2)C)=O)O[C@H](COP(OP(O[C@H]3O[C@@H]([C@H](CC3)N(C)C)C)(=O)O)(=O)O)[C@H](C1)O [C@@H]1(N2C(NC(=O)C(=C2)C)=O)O[C@H](COP(OP(O[C@H]3O[C@@H]([C@H](CC3)N(C)C)C)(=O)O)(=O)O)[C@H](C1)O is A pyrimidine nucleotide-sugar having thymine as the nucleobase and alpha-D-forosamine as the sugar component. It has the role of bacterial metabolite . It is a conjugate acid of dTDP-alpha-D-forosamine(1-) . It is also related to or classified as pyrimidine nucleotide-sugar .
The molecule [H][C@]12CC3=C([C@@]1([H])OC(=O)\C2=C\O)C(C)(C)CCC3 [H][C@]12CC3=C([C@@]1([H])OC(=O)\C2=C\O)C(C)(C)CCC3 is an indenofuran that is (3aR,8bS)-3,3a,4,5,6,7,8,8b-octahydro-2H-indeno[1,2-b]furan substituted by oxo, hydroxymethylidene, methyl, and methyl groups at positions 2, 3, 8, and 8, respectively.  It is also related to or classified as enol  . It is also related to or classified as gamma-lactone  . It is also related to or classified as indenofuran .
The molecule [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)CO [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)CO is A 3-oxo-5alpha-steroid formed from 11-deoxycorticosterone by reduction across the C4-C5 double bond. It has the role of anticonvulsant . It has the role of GABA modulator . It has the role of progesterone receptor agonist . Its functional parent is 11-deoxycorticosterone . It is also related to or classified as 3-oxo-5alpha-steroid  . It is also related to or classified as primary alpha-hydroxy ketone  . It is also related to or classified as mineralocorticoid , 21-hydroxy steroid , 20-oxo steroid .
The molecule COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c1OC COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c1OC is Colchicoside.  It is also related to or classified as alkaloid  . It is also related to or classified as acetamides , carbotricyclic compound .
The molecule COC1=C(O)C=C2C=CC(=O)OC2=C1 COC1=C(O)C=C2C=CC(=O)OC2=C1 is A hydroxycoumarin that is esculetin in which the hydroxy group at position 7 is replaced by a methoxy group. It is the major primary metabolite of scoparone. It has the role of plant metabolite . Its functional parent is esculetin . It is also related to or classified as aromatic ether , hydroxycoumarin .
The molecule C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C is 5alpha-Pregnan-20alpha-ol-3-one. It is also related to or classified as 3-oxo-5alpha-steroid  . It is also related to or classified as corticosteroid hormone .
The molecule C[C@@H]1OC(=O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1OC(=O)[C@@H](O)[C@H](O)[C@@H]1O is A fuconolactone that is L-fucopyranose in which the hydroxy group at position 1 is replaced by an oxo group. Its functional parent is L-fucopyranose . It is also related to or classified as fuconolactone .
The molecule Clc1cc(cc(Cl)c1Cl)-c1cc(Cl)c(Cl)c(Cl)c1 Clc1cc(cc(Cl)c1Cl)-c1cc(Cl)c(Cl)c(Cl)c1 is 3,4,5,3',4',5'-Hexachlorobiphenyl. It is also related to or classified as trichlorobenzene  . It is also related to or classified as hexachlorobiphenyl .
The molecule Clc1ccc(cc1)-c1cc(Cl)c(Cl)c(Cl)c1 Clc1ccc(cc1)-c1cc(Cl)c(Cl)c(Cl)c1 is 3,4,4',5-Tetrachlorobiphenyl. It is also related to or classified as trichlorobenzene  . It is also related to or classified as tetrachlorobiphenyl , monochlorobenzenes , biphenyls .
The molecule Clc1ccc(cc1Cl)-c1ccc(Cl)c(Cl)c1Cl Clc1ccc(cc1Cl)-c1ccc(Cl)c(Cl)c1Cl is 2,3,4,3',4'-Pentachlorobiphenyl. It is also related to or classified as dichlorobenzene  . It is also related to or classified as trichlorobenzene  . It is also related to or classified as pentachlorobiphenyl .
The molecule C1C2=CC(CC[C@@]2([C@]3([C@H](C[C@]4([C@]([C@@]3(C1)[H])(CC[C@@H]4O)[H])C)O)[H])C)=O C1C2=CC(CC[C@@]2([C@]3([C@H](C[C@]4([C@]([C@@]3(C1)[H])(CC[C@@H]4O)[H])C)O)[H])C)=O is an androstanoid that is testosterone carrying an additional hydroxy substituent at the 11beta-position. It has the role of marine metabolite . It has the role of human xenobiotic metabolite . It has the role of bacterial xenobiotic metabolite . Its functional parent is testosterone .  It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as 11beta-hydroxy steroid  . It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as C19-steroid , androstanoid .
The molecule Clc1ccc(c(Cl)c1)-c1cc(Cl)c(Cl)c(Cl)c1 Clc1ccc(c(Cl)c1)-c1cc(Cl)c(Cl)c(Cl)c1 is 2,3',4,4',5'-Pentachlorobiphenyl. It is also related to or classified as dichlorobenzene  . It is also related to or classified as trichlorobenzene  . It is also related to or classified as pentachlorobiphenyl .
The molecule CC(=O)N[C@@H](CCP(O)=O)C(O)=O CC(=O)N[C@@H](CCP(O)=O)C(O)=O is N-Acetyldemethylphosphinothricin. It is a conjugate acid of N-Acetyldemethylphosphinothricinate (2-) . It is also related to or classified as N-acyl-amino acid .
The molecule Clc1ccc(cc1)-c1cc(Cl)c(Cl)c(Cl)c1Cl Clc1ccc(cc1)-c1cc(Cl)c(Cl)c(Cl)c1Cl is 2,3,4,4',5-Pentachlorobiphenyl. It is also related to or classified as tetrachlorobenzene  . It is also related to or classified as pentachlorobiphenyl , monochlorobenzenes .
The molecule C1=C(C(=C2C(=C1)C=CC(O2)=O)CC=C(C)C)O C1=C(C(=C2C(=C1)C=CC(O2)=O)CC=C(C)C)O is A hydroxycoumarin that is umbelliferone in which the hydrogen at position 8 has been replaced by a prenyl group. It has the role of antifungal agent . It has the role of plant metabolite . Its functional parent is umbelliferone . It is also related to or classified as hydroxycoumarin .
The molecule Clc1ccc(cc1Cl)-c1cc(Cl)c(Cl)c(Cl)c1Cl Clc1ccc(cc1Cl)-c1cc(Cl)c(Cl)c(Cl)c1Cl is 2,3,3',4,4',5-Hexachlorobiphenyl. It is also related to or classified as dichlorobenzene  . It is also related to or classified as tetrachlorobenzene  . It is also related to or classified as hexachlorobiphenyl .
The molecule Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2)c(Cl)c1Cl Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2)c(Cl)c1Cl is 2,3,3',4,4',5'-Hexachlorobiphenyl. It is also related to or classified as trichlorobenzene  . It is also related to or classified as hexachlorobiphenyl .
The molecule Brc1cc(Br)c(Oc2cc(Br)c(Br)cc2Br)cc1Br Brc1cc(Br)c(Oc2cc(Br)c(Br)cc2Br)cc1Br is 2,2',4,4',5,5'-Hexabromodiphenyl ether.  It is also related to or classified as organobromine compound  . It is also related to or classified as aromatic ether .
The molecule [H][C@]12O[C@@]1([H])[C@@]1([H])C[C@]2([H])[C@]2([H])[C@@]1([H])[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl [H][C@]12O[C@@]1([H])[C@@]1([H])C[C@]2([H])[C@]2([H])[C@@]1([H])[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl is an organochlorine compound resulting from the epoxidation of the double bond of isodrin. It is the endo, endo stereoisomer of dieldrin. It is an insecticide mainly used on field crops such as cotton and grains and has also been used as a rodenticide to control mice and voles. The product is banned in many countries since it is a persistent organic pollutant. It has the role of rodenticide . It has the role of avicide . It has the role of xenobiotic . It has the role of neurotoxin . It has the role of persistent organic pollutant . Its functional parent is Isodrin .  It is also related to or classified as epoxide  . It is also related to or classified as organochlorine insecticide .
The molecule Brc1cc(Br)c(Br)c(Oc2c(Br)cc(Br)c(Br)c2Br)c1 Brc1cc(Br)c(Br)c(Oc2c(Br)cc(Br)c(Br)c2Br)c1 is 2,2',3,3',4',5,6'-Heptabromodiphenyl ether.  It is also related to or classified as organobromine compound  . It is also related to or classified as aromatic ether .
The molecule Brc1cc(Br)c(Oc2c(Br)cc(Br)c(Br)c2Br)cc1Br Brc1cc(Br)c(Oc2c(Br)cc(Br)c(Br)c2Br)cc1Br is 2,2',3,4,4',5',6-Heptabromodiphenyl ether.  It is also related to or classified as organobromine compound  . It is also related to or classified as aromatic ether .
The molecule Brc1cc(Br)c(Oc2cc(Br)c(Br)cc2Br)c(Br)c1 Brc1cc(Br)c(Oc2cc(Br)c(Br)cc2Br)c(Br)c1 is 2,2',4,4',5,6'-Hexabromodiphenyl ether.  It is also related to or classified as organobromine compound  . It is also related to or classified as aromatic ether .
The molecule C=12N3C(=CC4=[N+]5C(=CC=6N7C=8C(=C9[N+](=C(C1)[C@H]([C@@H]9CCC(O)=O)C)[Mg-2]735)[C@H](C(C8C6C)=O)C(=O)OC)[C@@H]([C@H]4C)CC)C(=C2C)C(O)C C=12N3C(=CC4=[N+]5C(=CC=6N7C=8C(=C9[N+](=C(C1)[C@H]([C@@H]9CCC(O)=O)C)[Mg-2]735)[C@H](C(C8C6C)=O)C(=O)OC)[C@@H]([C@H]4C)CC)C(=C2C)C(O)C is A chlorophyllide obtained by hydrolysis of the terpenoid ester moiety of 3-(1-hydroxyethyl)bacteriochlorophyll a. It has the role of bacterial metabolite . It is a conjugate acid of 3-(1-hydroxyethyl)bacteriochlorophyllide a(2-) . It is also related to or classified as methyl ester  . It is also related to or classified as dicarboxylic acid monoester , chlorophyllide .
The molecule [C@@H]1([C@@]2([C@@]([C@@]3(C(C[C@@H](O)CC3)=C1)C)(CC[C@]4([C@]2(CCC4=O)[H])C)[H])[H])O [C@@H]1([C@@]2([C@@]([C@@]3(C(C[C@@H](O)CC3)=C1)C)(CC[C@]4([C@]2(CCC4=O)[H])C)[H])[H])O is an androstanoid that is dehydroepiandrosterone carrying an additional hydroxy substituent at the 7alpha-position. It has the role of antioxidant . It has the role of estrogen . It has the role of anti-inflammatory agent . It has the role of human xenobiotic metabolite . It has the role of rat metabolite . Its functional parent is dehydroepiandrosterone . It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid  . It is also related to or classified as 17-oxo steroid  . It is also related to or classified as 7alpha-hydroxy steroid  . It is also related to or classified as androstanoid .
The molecule C=12N3C(=CC4=[N+]5C(=CC=6N7C=8C(=C9[N+](=C(C1)[C@H]([C@@H]9CCC(O)=O)C)[Mg-2]735)[C@H](C(C8C6C)=O)C(=O)OC)[C@@H]([C@H]4C)CC)C(=C2C)C(=O)C C=12N3C(=CC4=[N+]5C(=CC=6N7C=8C(=C9[N+](=C(C1)[C@H]([C@@H]9CCC(O)=O)C)[Mg-2]735)[C@H](C(C8C6C)=O)C(=O)OC)[C@@H]([C@H]4C)CC)C(=C2C)C(=O)C is A chlorophyllide obtained by hydrolysis of the terpenoid ester moiety of bacteriochlorophyll a. It has the role of bacterial metabolite . It is a conjugate acid of bacteriochlorophyllide a(2-) . It is also related to or classified as methyl ester  . It is also related to or classified as dicarboxylic acid monoester , chlorophyllide , methyl ketone .
The molecule Clc1cc(Cl)c(cc1Cl)-c1cc(Cl)c(Cl)c(Cl)c1 Clc1cc(Cl)c(cc1Cl)-c1cc(Cl)c(Cl)c(Cl)c1 is 2,3',4,4',5,5'-Hexachlorobiphenyl. It is also related to or classified as trichlorobenzene  . It is also related to or classified as hexachlorobiphenyl .
The molecule C[N+]1(C)C[C@H](O)C[C@H]1C([O-])=O C[N+]1(C)C[C@H](O)C[C@H]1C([O-])=O is an amino-acid betaine that is trans-4-hydroxy-L-proline zwitterion in which both of the hydrogens attached to the nitrogen have been replaced by methyl groups. It has the role of plant metabolite . Its functional parent is trans-4-hydroxy-L-proline zwitterion .   It is also related to or classified as secondary alcohol  . It is also related to or classified as amino-acid betaine , pyrrolidine alkaloid .
The molecule C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@@]2(C[C@H](C1)O)[H])[H])(CC[C@@]4([C@@H](CCC([O-])=O)C)[H])[H])C)[H])C C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@@]2(C[C@H](C1)O)[H])[H])(CC[C@@]4([C@@H](CCC([O-])=O)C)[H])[H])C)[H])C is A bile acid anion that is the conjugate base of isolithocholic acid, obtained by deprotonation of the carboxy group. The 3beta-hydroxy epimer of lithocholate. It is the major microspecies at pH 7.3. It is also related to or classified as cholanic acid anion , bile acid anion .
The molecule C=12N3C(=CC4=[N+]5C(=CC=6N7C=8C(=C9[N+](=C(C1)[C@H]([C@@H]9CCC(O)=O)C)[Mg-2]753)CC(C8C6C)=O)C(=C4C)CC)C(=C2C)C=C C=12N3C(=CC4=[N+]5C(=CC=6N7C=8C(=C9[N+](=C(C1)[C@H]([C@@H]9CCC(O)=O)C)[Mg-2]753)CC(C8C6C)=O)C(=C4C)CC)C(=C2C)C=C is A chlorophyllide obtained by hydrolysis of the terpenoid ester moiety of 3-vinylbacteriochlorophyll d. It has the role of bacterial metabolite . It is a conjugate acid of 3-vinylbacteriochlorophyllide d(1-) . It is also related to or classified as monocarboxylic acid , chlorophyllide .
The molecule Clc1cc(cc(Cl)c1Cl)-c1cc(Cl)c(Cl)c(Cl)c1Cl Clc1cc(cc(Cl)c1Cl)-c1cc(Cl)c(Cl)c(Cl)c1Cl is 2,3,3',4,4',5,5'-Heptachlorobiphenyl. It is also related to or classified as tetrachlorobenzene  . It is also related to or classified as trichlorobenzene  . It is also related to or classified as heptachlorobiphenyl .
The molecule C=12N3C(=CC4=[N+]5C(=CC=6N7C=8C(=C9[N+](=C(C1)[C@H]([C@@H]9CCC(O)=O)C)[Mg-2]735)[C@H](C(C8C6C)=O)C(=O)OC)C(=C4C)CC)C(=C2C)C(O)C C=12N3C(=CC4=[N+]5C(=CC=6N7C=8C(=C9[N+](=C(C1)[C@H]([C@@H]9CCC(O)=O)C)[Mg-2]735)[C@H](C(C8C6C)=O)C(=O)OC)C(=C4C)CC)C(=C2C)C(O)C is A chlorophyllide obtained by hydrolysis of the terpenoid ester moiety of 3-(1-hydroxyethyl)chlorophyll a. It has the role of bacterial metabolite . It is a conjugate acid of 3-(1-hydroxyethyl)chlorophyllide a(2-) . It is also related to or classified as methyl ester  . It is also related to or classified as dicarboxylic acid monoester , chlorophyllide .
The molecule C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@H](C[C@@]2(C[C@H](C1)O)[H])O)[H])(CC[C@@]4([C@@H](CCC(O)=O)C)[H])[H])C)[H])C C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@H](C[C@@]2(C[C@H](C1)O)[H])O)[H])(CC[C@@]4([C@@H](CCC(O)=O)C)[H])[H])C)[H])C is A dihydroxy-5beta-cholanic acid in which the two hydroxy groups are located at positions 3beta and 7alpha. The 3beta-hydroxy epimer of chenodeoxycholic acid. It has the role of human metabolite . It is a conjugate acid of 3beta,7alpha-dihydroxy-5beta-cholan-24-oate .   It is also related to or classified as 3beta-hydroxy steroid  . It is also related to or classified as 7alpha-hydroxy steroid  . It is also related to or classified as dihydroxy-5beta-cholanic acid , bile acid .
The molecule Clc1ccc(cc1Cl)-c1cc(Cl)c(Cl)cc1Cl Clc1ccc(cc1Cl)-c1cc(Cl)c(Cl)cc1Cl is 2,3',4,4',5-Pentachlorobiphenyl. It is also related to or classified as dichlorobenzene  . It is also related to or classified as trichlorobenzene  . It is also related to or classified as pentachlorobiphenyl .