anonymous041/ChEBI-Augmented huggingface dataset:
The molecule OC(=O)C(F)(F)C(F)(F)C(F)(F)F OC(=O)C(F)(F)C(F)(F)C(F)(F)F is A monocarboxylic acid that is perfluorinated butyric acid. It has the role of xenobiotic . It has the role of chromatographic reagent . It has the role of environmental contaminant . Its functional parent is butyric acid . It is also related to or classified as fluoroalkanoic acid .
The molecule O=C1N2[C@H](C(=O)O[C@@H](C(CC3C[C@@H](OC)[C@H](O)CC3)C)CC(=O)[C@@H](C=C([C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@@H](C=CC=CC=C([C@H](C[C@@H]4O[C@](C1=O)(O)[C@@H](CC4)CC)OC)C)C)C)C)CCCC2 O=C1N2[C@H](C(=O)O[C@@H](C(CC3C[C@@H](OC)[C@H](O)CC3)C)CC(=O)[C@@H](C=C([C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@@H](C=CC=CC=C([C@H](C[C@@H]4O[C@](C1=O)(O)[C@@H](CC4)CC)OC)C)C)C)C)CCCC2 is Homorapamycin A. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]4O)C(O)=O)[C@@](C)(C=O)[C@]3([H])CC[C@@]12C)C(O)=O [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]4O)C(O)=O)[C@@](C)(C=O)[C@]3([H])CC[C@@]12C)C(O)=O is gypsogenin 3-O-rhamnosylglucosiduronic acid. Its functional parent is gypsogenin .  It is also related to or classified as rhamnosylglucoside  . It is also related to or classified as glucosiduronic acid , disaccharide derivative .
The molecule O=C(O)C(NC(CC1=CNC2=CC=CC=C12)=O)CC=3C=CC=CC3 O=C(O)C(NC(CC1=CNC2=CC=CC=C12)=O)CC=3C=CC=CC3 is an indoleacetic acid amide conjugate obtained by formal condensation of the carboxy group of indole-3-acetic acid with the amino group of phenylalanine. It has the role of plant metabolite . Its functional parent is indole-3-acetic acid . It is also related to or classified as phenylalanine derivative , indoleacetic acid amide conjugate .
The molecule OC(=O)c1ccc(C=O)cc1O OC(=O)c1ccc(C=O)cc1O is A hydroxybenzoic acid that is salicylic acid in which the hydrogen at position 4 is substituted by a formyl group. Its functional parent is salicylic acid . It is also related to or classified as aldehyde  .  It is also related to or classified as phenols  . It is also related to or classified as monohydroxybenzoic acid .
The molecule [C-]#N.[K+] [C-]#N.[K+] is A cyanide salt containing equal numbers of potassium cations and cyanide anions. It has the role of EC 1.15.1.1 (superoxide dismutase) inhibitor . It has the role of EC 1.9.3.1 (cytochrome c oxidase) inhibitor . It has the role of neurotoxin . It is also related to or classified as potassium salt , cyanide salt , one-carbon compound .
The molecule [As](=O)(C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(O)=O)(C)C [As](=O)(C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(O)=O)(C)C is 22-dimethylarsinoyl-(5Z,8Z, 11Z,14Z,17Z,20Z)-docosahexaenoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule COc1ccc2c3CCN=C(C)c3[nH]c2c1 COc1ccc2c3CCN=C(C)c3[nH]c2c1 is A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7 and has been reduced across the 3,4 bond. It has the role of oneirogen . It is also related to or classified as harmala alkaloid .
The molecule O=C1OC[C@]2([C@H]3[C@@](C(C(=C)CC3)CO[C@@H](C(=O)OC[C@]4([C@H]5[C@@]([C@@H](CO[C@@H]1C(C(=O)OC)CC(=O)OC)C(=C)CC5)(CCC4)C)C)C(C(=O)OC)CC(=O)O)(CCC2)C)C O=C1OC[C@]2([C@H]3[C@@](C(C(=C)CC3)CO[C@@H](C(=O)OC[C@]4([C@H]5[C@@]([C@@H](CO[C@@H]1C(C(=O)OC)CC(=O)OC)C(=C)CC5)(CCC4)C)C)C(C(=O)OC)CC(=O)O)(CCC2)C)C is Porialbocin A. Its functional parent is pentacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule [H][C@]12C[C@@H](OC(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCc3c1[nH]c1cc(OC)ccc31)C2 [H][C@]12C[C@@H](OC(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCc3c1[nH]c1cc(OC)ccc31)C2 is an alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. It has the role of adrenergic uptake inhibitor . It has the role of antihypertensive agent . It has the role of xenobiotic . It has the role of first generation antipsychotic . It has the role of EC 3.4.21.26 (prolyl oligopeptidase) inhibitor . It has the role of plant metabolite . It has the role of environmental contaminant . Its functional parent is reserpic acid . It is also related to or classified as methyl ester  . It is also related to or classified as yohimban alkaloid , alkaloid ester .
The molecule c1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1 c1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1 is an acene that consists of five ortho-fused benzene rings in a rectilinear arrangement. It is also related to or classified as acene  . It is also related to or classified as pentacenes .
The molecule OC(=O)c1ccc(F)cc1 OC(=O)c1ccc(F)cc1 is A fluorobenzoic acid carrying a fluoro substituent at position 4. It has the role of bacterial xenobiotic metabolite . It is a conjugate acid of 4-fluorobenzoate . It is also related to or classified as fluorobenzoic acid .
The molecule O1C([C@H](OC(=O)/C=C/C2=CC=C(O)C=C2)C(O)[C@H](OC(=O)C3=CC=C(O)C=C3)[C@@H]1OC4=C(OC=5C(C4=O)=C(O)C=C(O)C5)C6=CC(O)=C(O)C=C6)C O1C([C@H](OC(=O)/C=C/C2=CC=C(O)C=C2)C(O)[C@H](OC(=O)C3=CC=C(O)C=C3)[C@@H]1OC4=C(OC=5C(C4=O)=C(O)C=C(O)C5)C6=CC(O)=C(O)C=C6)C is Quercetin 3-(2''-p-hydroxybenzoyl-4''-p-coumarylrhamnoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [H]N=C(C#N)C#N [H]N=C(C#N)C#N is iminomalononitrile. Its functional parent is malononitrile . It is also related to or classified as ketimine  .
The molecule S1S[C@]23N([C@@H]4[C@@H](O)C=C[C@@H]([C@H]4C2)O)C([C@]15N([C@@H]6[C@@H](O)[C@@H](O)CC([C@@H]6C5)=O)C3=O)=O S1S[C@]23N([C@@H]4[C@@H](O)C=C[C@@H]([C@H]4C2)O)C([C@]15N([C@@H]6[C@@H](O)[C@@H](O)CC([C@@H]6C5)=O)C3=O)=O is Brocazine C.  It is also related to or classified as organic disulfide  .  It is also related to or classified as 2,5-diketopiperazines  . It is also related to or classified as indoles , organic heteropentacyclic compound .
The molecule [H][C@]12CC[C@]3([H])[C@]([H])([C@H](O)C[C@]4(C)[C@]([H])(CC[C@]34O)C3=CC(=O)CC3)[C@@]1(C)CC[C@@H](C2)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O [H][C@]12CC[C@]3([H])[C@]([H])([C@H](O)C[C@]4(C)[C@]([H])(CC[C@]34O)C3=CC(=O)CC3)[C@@]1(C)CC[C@@H](C2)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O is rhodexin A. Its functional parent is sarmentogenin . It is also related to or classified as alpha-L-rhamnoside  .
The molecule OS(OC1=C(C=CC(=C1)CCN)O)(=O)=O OS(OC1=C(C=CC(=C1)CCN)O)(=O)=O is an aryl sulfate that is dopamine in which the phenolic hydrogen at position 3 has been replaced by a sulfo group. It has the role of human urinary metabolite . It has the role of human blood serum metabolite . Its functional parent is dopamine . It is also related to or classified as phenols  . It is also related to or classified as aryl sulfate , primary amino compound .
The molecule FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F is A fluoroalkane that is hexane in which all of the hydrogens have been replaced by fluorines. It has the role of radioopaque medium . It has the role of non-polar solvent .  It is also related to or classified as fluoroalkane  . It is also related to or classified as fluorocarbon  . It is also related to or classified as volatile organic compound .
The molecule O=C1[C@@]2(O)C=3OC=C4C3[C@](CC[C@@H]4OC(=O)C)(C)CC[C@]2(C)[C@H]([C@H]1OC(=O)C)C(C)C O=C1[C@@]2(O)C=3OC=C4C3[C@](CC[C@@H]4OC(=O)C)(C)CC[C@]2(C)[C@H]([C@H]1OC(=O)C)C(C)C is Heptemerone D. It is also related to or classified as ketone  . It is also related to or classified as carboxylic ester  .
The molecule Oc1ccc(cc1)\C=C\C=O Oc1ccc(cc1)\C=C\C=O is A cinnamaldehyde that is (E)-cinnamaldehyde substituted at position 4 on the phenyl ring by a hydroxy group. It has the role of EC 1.14.13.39 (nitric oxide synthase) inhibitor . It has the role of apoptosis inducer . It has the role of plant metabolite . Its functional parent is (E)-cinnamaldehyde . It is also related to or classified as cinnamaldehydes .
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OCC(C2OC3=C(C2)C=4OC5C(C(=O)C4C=C3)C=6C(OC5)=CC(OC)=C(OC)C6)=C)CO[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OCC(C2OC3=C(C2)C=4OC5C(C(=O)C4C=C3)C=6C(OC5)=CC(OC)=C(OC)C6)=C)CO[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O is Amorphigenin O-vicianoside. It is also related to or classified as glycoside  . It is also related to or classified as rotenoid .
The molecule OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O is A glycosylmannose that is D-mannopyranose attached to a beta-D-mannopyranosyl group at position 4 via a glycosidic linkage. It has the role of plant metabolite . It is also related to or classified as glycosylmannose .
The molecule [O-]S(OC1=C(C=CC(=C1)CC[NH3+])O)(=O)=O [O-]S(OC1=C(C=CC(=C1)CC[NH3+])O)(=O)=O is A zwitterion obtained by transfer of a proton from the sulfonyl to the amino group of dopamine 3-O-sulfate; major species at pH 7.3. It has the role of human urinary metabolite . It has the role of human blood serum metabolite . It is also related to or classified as zwitterion  .
The molecule O=C1OC(C2=CC[C@]3(C4(C2=C1)[C@@]5(O[C@@]6(O)[C@@](C4)(C)C7(C38C(=O)O[C@H](C86O5)C)OC7)C)C)(C)C O=C1OC(C2=CC[C@]3(C4(C2=C1)[C@@]5(O[C@@]6(O)[C@@](C4)(C)C7(C38C(=O)O[C@H](C86O5)C)OC7)C)C)(C)C is Dhilirolide B. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O=C(NCCCC(O)=O)CCCCCCC/C=C\CCCCCCCC O=C(NCCCC(O)=O)CCCCCCC/C=C\CCCCCCCC is N-Oleoyl GABA. Its functional parent is gamma-amino acid . It is a conjugate acid of N-oleoyl-gamma-aminobutyrate . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H](CC(O)=O)C(O)=O)ncnc12 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H](CC(O)=O)C(O)=O)ncnc12 is an aspartic acid derivative that is L-aspartic acid in which one of the amine hydrogens is substituted by a 9-beta-D-ribofuranosyl-9H-purin-6-yl group. It has the role of metabolite . Its functional parent is succinic acid . Its functional parent is adenosine . It is a conjugate acid of succinyladenosine anion . It is also related to or classified as adenosines , amino dicarboxylic acid , L-aspartic acid derivative .
The molecule O=C1O[C@@H](CC(=O)O[C@@H](CC(=O)O[C@@H](CC=2C=C(O)C=C(C2C(O[C@@H](CC(O[C@@H](CC=3C1=C(O)C=C(O)C3)C)=O)C)=O)O)C)C)C O=C1O[C@@H](CC(=O)O[C@@H](CC(=O)O[C@@H](CC=2C=C(O)C=C(C2C(O[C@@H](CC(O[C@@H](CC=3C1=C(O)C=C(O)C3)C)=O)C)=O)O)C)C)C is BK223 C. Its functional parent is hexacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule O=C(N[C@@H](C)C(O)=O)CCCCCCC/C=C\CCCCCCCC O=C(N[C@@H](C)C(O)=O)CCCCCCC/C=C\CCCCCCCC is N-Oleoyl alanine. It is a conjugate acid of N-oleoyl-L-alaninate . It is also related to or classified as N-acyl-L-amino acid .
The molecule [Mn+4] [Mn+4] is A manganese cation that is monoatomic and has a formal charge of +4.  It is also related to or classified as monoatomic tetracation  . It is also related to or classified as manganese cation .
The molecule O=C1O[C@@H]2[C@@H](C(=O)N3[C@@]2([C@@H]1CC3)O)C(=O)[C@H]4[C@@H]5[C@](C=C([C@H]4C)C)(C[C@@H](C)CC5)C O=C1O[C@@H]2[C@@H](C(=O)N3[C@@]2([C@@H]1CC3)O)C(=O)[C@H]4[C@@H]5[C@](C=C([C@H]4C)C)(C[C@@H](C)CC5)C is CJ-16,264. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , cyclic ketone .
The molecule c1nn[nH]n1 c1nn[nH]n1 is A tetrazole tautomer where the proton is located on the 2 position. It is also related to or classified as tetrazole  . It is also related to or classified as one-carbon compound .
The molecule O=C(O)C(NC(CC1=CNC2=CC=CC=C12)=O)CC(C)C O=C(O)C(NC(CC1=CNC2=CC=CC=C12)=O)CC(C)C is an indoleacetic acid amide conjugate obtained by formal condensation of the carboxy group of indole-3-acetic acid with the amino group of leucine. It has the role of plant metabolite . Its functional parent is indole-3-acetic acid . It is also related to or classified as leucine derivative , indoleacetic acid amide conjugate .
The molecule O=C1/C(=C\C)/C23OC2CCNC3=C1 O=C1/C(=C\C)/C23OC2CCNC3=C1 is Streptazone A.  It is also related to or classified as epoxide  . It is also related to or classified as piperidines .
The molecule [H][C@@]1(CC2=C3O[C@]4([H])COC5=C(C=C(OC)C(OC)=C5)[C@]4([H])C(=O)C3=CC=C2O1)C(C)=C [H][C@@]1(CC2=C3O[C@]4([H])COC5=C(C=C(OC)C(OC)=C5)[C@]4([H])C(=O)C3=CC=C2O1)C(C)=C is A member of the class of rotenones that consists of 1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one substituted at position 2 by a prop-1-en-2-yl group and at positions 8 and 9 by methoxy groups (the 2R,6aS,12aS-isomer). A non-systemic insecticide, it is the principal insecticidal constituent of derris (the dried rhizome and root of Derris elliptica). It has the role of piscicide . It has the role of phytogenic insecticide . It has the role of metabolite . It has the role of toxin . It has the role of antineoplastic agent . It has the role of mitochondrial NADH:ubiquinone reductase inhibitor .  It is also related to or classified as rotenones  . It is also related to or classified as organic heteropentacyclic compound .
The molecule C[C@H](NC(C)=O)C(O)=O C[C@H](NC(C)=O)C(O)=O is an N-acetyl-L-amino acid that is L-alanine in which one of the hydrogens attached to the nitrogen is replaced by an acetyl group. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is a conjugate acid of N-acetyl-L-alaninate . It is also related to or classified as N-acetyl-L-amino acid , L-alanine derivative .
The molecule O=C1N[C@H](C(=O)N[C@H]1CC=2C3=C(C=CC=C3)N(C2)CC=C(C)C)C O=C1N[C@H](C(=O)N[C@H]1CC=2C3=C(C=CC=C3)N(C2)CC=C(C)C)C is 3-methyl-6-[[1-(3-methyl-2-butenyl)-1H-indol-3-yl]methyl]-2,5-piperazinedione. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule N#CCC#N N#CCC#N is A dinitrile that is methane substituted by two cyano groups. It is also related to or classified as dinitrile  . It is also related to or classified as aliphatic nitrile  .
The molecule FC(F)(F)C(=O)C(F)(F)F FC(F)(F)C(=O)C(F)(F)F is A  ketone that is acetone in which all the methyl hydrogens are replaced by fluoro groups.  It is also related to or classified as ketone  . It is also related to or classified as perfluorinated compound .
The molecule O=C([O-])[C@@H](NC(=O)C)C O=C([O-])[C@@H](NC(=O)C)C is A monocarboxylic acid anion that is the conjugate base of N-acetyl-L-alanine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as N-acyl-L-alpha-amino acid anion  .
The molecule O=C(O)C1N=C(C2=C(O)C=CC=C2)OC1C O=C(O)C1N=C(C2=C(O)C=CC=C2)OC1C is Vulnibactin 2. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule ClC(CCCCCCCCCCCCCC)CO ClC(CCCCCCCCCCCCCC)CO is 2-Chlorohexadecanol. It is also related to or classified as alcohol  . It is also related to or classified as organochlorine compound  .
The molecule C\C(CC(O)=O)=C/C(O)=O C\C(CC(O)=O)=C/C(O)=O is A dicarboxylic acid comprising (E)-glutaconic acid carrying a 3-methyl substituent. Its functional parent is (E)-glutaconic acid . It is a conjugate acid of (E)-3-methylglutaconate anion . It is also related to or classified as dicarboxylic acid .
The molecule O=C1C2=C(O)C3=C4OC5(OC6OC(C(O)(C(=O)C)C(C6)O)C)C(O)([C@@](O)(C(OC)OC)O[C@H]5C(C4=C(C)C=C3C(=C2C(OC7OC(C(OC(=O)C)C(C7)(O)C)C)CC1O)OC)O)CO O=C1C2=C(O)C3=C4OC5(OC6OC(C(O)(C(=O)C)C(C6)O)C)C(O)([C@@](O)(C(OC)OC)O[C@H]5C(C4=C(C)C=C3C(=C2C(OC7OC(C(OC(=O)C)C(C7)(O)C)C)CC1O)OC)O)CO is Trioxacarcin F. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule [H][C@]1(O[C@@H]2O[C@@H](C)[C@@H](NO[C@H]3C[C@H](O)[C@H](SC(=O)c4c(C)c(I)c(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](OC)[C@H]5O)c(OC)c4OC)[C@@H](C)O3)[C@H](O)[C@H]2O[C@H]2C[C@H](OC)[C@H](CO2)NCC)C#C\C=C/C#C[C@]2(O)CC(=O)C(NC(=O)OC)=C1/C2=C\CSSSC [H][C@]1(O[C@@H]2O[C@@H](C)[C@@H](NO[C@H]3C[C@H](O)[C@H](SC(=O)c4c(C)c(I)c(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](OC)[C@H]5O)c(OC)c4OC)[C@@H](C)O3)[C@H](O)[C@H]2O[C@H]2C[C@H](OC)[C@H](CO2)NCC)C#C\C=C/C#C[C@]2(O)CC(=O)C(NC(=O)OC)=C1/C2=C\CSSSC is A calcheamicin in which contains 3-O-methyl-alpha-L-rhamnosyl, 2,6-dideoxy-4-thio-beta-D-ribo-hexopyranosyl, and 4-amino-4,6-dideoxy-2-O-[2,4-dideoxy-4-(ethylamino)-3-O-methyl-alpha-L-threo-pentopyranosyl]-alpha-L-idopyranose units and in which the aromatic ring contains an iodo substituent. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as organoiodine compound  . It is also related to or classified as calicheamicin , enediyne antibiotic .
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CO CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CO is A geranylgeraniol in which all four double bonds have E- (trans-) geometry. It is also related to or classified as geranylgeraniol  .
The molecule CNC(=O)Oc1ccc(N(C)C)c(C)c1 CNC(=O)Oc1ccc(N(C)C)c(C)c1 is A carbamate ester that is phenyl methylcarbamate substituted by a dimethylamino group at position 4 and a methyl group at position 3. It has the role of acaricide . It has the role of agrochemical . It has the role of molluscicide . It has the role of carbamate insecticide . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . Its functional parent is methylcarbamic acid . It is also related to or classified as carbamate ester , toluenes .
The molecule O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O[C@@H]2[C@@]3([C@]([C@]4([C@](CC3)([C@@]5([C@](C[C@@H](CC5)O)(CC4)[H])C)[H])[H])(CC2)[H])C)O)O)O)C([O-])=O O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O[C@@H]2[C@@]3([C@]([C@]4([C@](CC3)([C@@]5([C@](C[C@@H](CC5)O)(CC4)[H])C)[H])[H])(CC2)[H])C)O)O)O)C([O-])=O is A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of 5alpha-androstane-3alpha,17beta-diol 17-glucosiduronic acid. It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as carbohydrate acid derivative anion .
The molecule O=C(O[C@H]1[C@]2(O[C@@]([C@@H]1O)(O[C@@H]([C@@]2(O)C(=O)O)C(=O)O)CCC(=C)C(NC(=O)C)C(CC3=CC=CC=C3)C)C(=O)O)/C=C/[C@H](C[C@H](CC)C)C O=C(O[C@H]1[C@]2(O[C@@]([C@@H]1O)(O[C@@H]([C@@]2(O)C(=O)O)C(=O)O)CCC(=C)C(NC(=O)C)C(CC3=CC=CC=C3)C)C(=O)O)/C=C/[C@H](C[C@H](CC)C)C is Squalestatin S4. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule ClC\C=C\Cl ClC\C=C\Cl is A 1,3-dichloropropene with a (E)-configuration. It has the role of fumigant . It is also related to or classified as 1,3-dichloropropene , chloroalkene .
The molecule CCC1(CCC(=O)NC1=O)c1ccc(N)cc1 CCC1(CCC(=O)NC1=O)c1ccc(N)cc1 is A dicarboximide that is a six-membered cyclic compound having ethyl and 4-aminophenyl substituents at the 3-position. It has the role of antineoplastic agent . It has the role of anticonvulsant . It has the role of adrenergic agent . It has the role of EC 1.14.14.14 (aromatase) inhibitor . Its functional parent is piperidine-2,6-dione . It is also related to or classified as dicarboximide  . It is also related to or classified as piperidones , substituted aniline .
The molecule [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 is the 5alpha-stereoisomer of androstane-3alpha,17beta-diol. It has the role of human metabolite . It has the role of Daphnia magna metabolite . It is also related to or classified as androstane-3alpha,17beta-diol  .
The molecule S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@@H](O)C=COC4)[C@@H]5[C@@H](OC(=O)C(C(O)C(C(=O)/C(=C/C)/C)C)C)C=COC=C5C2)C S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@@H](O)C=COC4)[C@@H]5[C@@H](OC(=O)C(C(O)C(C(=O)/C(=C/C)/C)C)C)C=COC=C5C2)C is Graphiumin E. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCCCCCC(O)CC CCCCCCC(O)CC is A secondary alcohol that is nonane substituted by a hydroxy group at position 3. It has the role of rat metabolite .  It is also related to or classified as secondary alcohol  . It is also related to or classified as nonanol .
The molecule [O-][Mn]([O-])(=O)=O [O-][Mn]([O-])(=O)=O is A divalent inorganic anion obtained by removal of both protons from manganic acid. It is also related to or classified as manganese oxoanion , divalent inorganic anion .
The molecule O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O[C@@H]2[C@@]3([C@]([C@]4([C@](CC3)([C@@]5([C@](C[C@@H](CC5)O)(CC4)[H])C)[H])[H])(CC2)[H])C)O)O)O)C(O)=O O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O[C@@H]2[C@@]3([C@]([C@]4([C@](CC3)([C@@]5([C@](C[C@@H](CC5)O)(CC4)[H])C)[H])[H])(CC2)[H])C)O)O)O)C(O)=O is A steroid glucosiduronic that is 5alpha-androstane-3alpha,17beta-diol carrying a glucosiduronic acid residue at position 17. Its functional parent is 5alpha-androstane-3alpha,17beta-diol . It is a conjugate acid of 5alpha-androstane-3alpha,17beta-diol 17-glucosiduronate .  It is also related to or classified as 3alpha-hydroxy steroid  . It is also related to or classified as steroid glucosiduronic acid .
The molecule ClC1=C2C(=O)C3=C(C(=O)C=4C(O)=CC(=CC4C3(C)C)O)C(C2=C(C5=C(OC)C(Cl)=C(O)C=C5C)C=C1OC)=O ClC1=C2C(=O)C3=C(C(=O)C=4C(O)=CC(=CC4C3(C)C)O)C(C2=C(C5=C(OC)C(Cl)=C(O)C=C5C)C=C1OC)=O is Naphthacemycin A7. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule O1[C@H](C(=C)C)[C@H](O)C=C2[C@@H]1CC[C@]3([C@@]2(O)CC[C@@H]4[C@@]3(C=5NC=6C=C(C(C=C)(C)C)C=CC6C5C4)C)C O1[C@H](C(=C)C)[C@H](O)C=C2[C@@H]1CC[C@]3([C@@]2(O)CC[C@@H]4[C@@]3(C=5NC=6C=C(C(C=C)(C)C)C=CC6C5C4)C)C is Sulpinine B. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O=C1OCC2=C[C@H]3OC([C@@]4(C3[C@@](C2=C1)(C=CC4)C)C)=O O=C1OCC2=C[C@H]3OC([C@@]4(C3[C@@](C2=C1)(C=CC4)C)C)=O is (1S,9R,12S)-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7,14-triene-4,11-dione. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O=C(O)C(NC(CC1=CNC2=CC=CC=C12)=O)CCC(=O)O O=C(O)C(NC(CC1=CNC2=CC=CC=C12)=O)CCC(=O)O is an indoleacetic acid amide conjugate obtained by formal condensation of the carboxy group of indole-3-acetic acid with the amino group of glutamic acid. Its functional parent is indole-3-acetic acid . It is a conjugate acid of N-(indole-3-acetyl)glutamate(2-) . It is also related to or classified as N-acylglutamic acid , indoleacetic acid amide conjugate .
The molecule O(C1=CC(=C(O)C=C1)CO)CC2=C(O)C=CC(=C2)O O(C1=CC(=C(O)C=C1)CO)CC2=C(O)C=CC(=C2)O is Terrestrol E. It is also related to or classified as phenols  . It is also related to or classified as aromatic ether .
The molecule CCCC(O)CCC CCCC(O)CCC is A secondary alcohol that is heptane substituted by a hydroxy group at position 4. It has the role of plant metabolite . It has the role of fungal metabolite . It has the role of rat metabolite .  It is also related to or classified as secondary alcohol  . It is also related to or classified as heptanol .
The molecule [H][C@]12C[C@@H](OC(=O)\C=C\c3cc(OC)c(OC)c(OC)c3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCc3c1[nH]c1cc(OC)ccc31)C2 [H][C@]12C[C@@H](OC(=O)\C=C\c3cc(OC)c(OC)c(OC)c3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCc3c1[nH]c1cc(OC)ccc31)C2 is rescinnamine. It has the role of antihypertensive agent . It is also related to or classified as methyl ester  . It is also related to or classified as organic heteropentacyclic compound , indole alkaloid .