anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccccc1 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccccc1 is A trihydroxyflavanone in which the three hydroxy substituents are located at positions 3, 5 and 7. It has the role of antioxidant . It has the role of metabolite . It has the role of antimutagen . It is also related to or classified as secondary alpha-hydroxy ketone  . It is also related to or classified as trihydroxyflavanone .
The molecule [C@@]1([C@@]2([C@@]([C@@]3(CC[C@@H]4C[C@@]3([C@H]2C(=O)[O-])CC4=C)[H])(CO)CCC1)[H])(C)C(=O)[O-] [C@@]1([C@@]2([C@@]([C@@]3(CC[C@@H]4C[C@@]3([C@H]2C(=O)[O-])CC4=C)[H])(CO)CCC1)[H])(C)C(=O)[O-] is A dicarboxylic acid anion obtained by deprotonation of both carboxy groups of gibberellin A15 (diacid form). It is also related to or classified as dicarboxylic acid dianion  . It is also related to or classified as gibberellin carboxylic acid anion .
The molecule S1SS[C@]23N([C@@H]4[C@@H](OC(=O)CC5=CC=CC=C5)C=CC=C4C2)C([C@@]6(S1)N([C@@H]7[C@@H](OC(=O)[C@H](O)C8=CC=CC=C8)C=COC=C7C6)C3=O)=O S1SS[C@]23N([C@@H]4[C@@H](OC(=O)CC5=CC=CC=C5)C=CC=C4C2)C([C@@]6(S1)N([C@@H]7[C@@H](OC(=O)[C@H](O)C8=CC=CC=C8)C=COC=C7C6)C3=O)=O is Emethallicin B. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCS(=O)CCSP(=O)(OC)OC is an organic thiophosphate and an organothiophosphate insecticide. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an acaricide and an agrochemical. It derives from a 2-(ethanesulfinyl)ethanol.
The molecule C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O is a glycosyloxyflavone that is apigenin substituted by a 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside group at position 7. It has a role as a plant metabolite. It is a dihydroxyflavone, a disaccharide derivative, a glycosyloxyflavone and a gentiobioside. It derives from an apigenin.
The molecule CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=NN2C)C)C(=O)C3=C(C=C(C=C3)Cl)Cl is a member of the class of pyrazoles that is 1,3-dimethylpyrazole which is substituted at positions 4 and 5 by 2,4-dichlorobenzoyl and p-tosyloxy groups, respectively. It is an obsolete proherbicide (via hydrolysis of the tosylate group to afford the corresponding 5-hydroxypyrazole), that was used to control weeds in rice paddy fields. It has a role as a proherbicide, an EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor, an agrochemical and a carotenoid biosynthesis inhibitor. It is a member of pyrazoles, a tosylate ester, an aromatic ketone and a dichlorobenzene.
The molecule CC(COC(C)=O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]12C CC(COC(C)=O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]12C is A hopanoid that is hopane substituted by an acetoxy group at position 29. It has the role of plant metabolite .  It is also related to or classified as acetate ester  . It is also related to or classified as hopanoid  . It is also related to or classified as pentacyclic triterpenoid .
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(O)c(C)c(C)c1O CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(O)c(C)c(C)c1O is A plastoquinol in which an all-E nonaprenyl group is attached to position 5 of 2,3-dimethylhydroquinone. It is also related to or classified as plastoquinol .
The molecule CCCCCCC(=O)C([O-])=O CCCCCCC(=O)C([O-])=O is A 2-oxo monocarboxylic acid anion that is the conjugate base of 2-oxooctanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is octanoate . It is also related to or classified as 2-oxo monocarboxylic acid anion  .
The molecule CC/C=C\\C/C=C\\C[C@@H](C(/C=C/C=C/C=C\\CCCCCC(=O)[O-])O)O is a docosanoid anion that is the conjugate base of 13,14(S)-dihydroxy-(7Z,9E,11E,16Z,19Z)-docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a docosanoid anion, a long-chain fatty acid anion and a hydroxy polyunsaturated fatty acid anion. It is a conjugate base of a 13,14(S)-dihydroxy-(7Z,9E,11E,16Z,19Z)-docosapentaenoic acid.
The molecule O=C1C2=C(O)C=3C(O)=CC(=O)C(C3C=C2C(=O)C4=C1C5=C(C(=O)OC5)C(=C4)O)=O O=C1C2=C(O)C=3C(O)=CC(=O)C(C3C=C2C(=O)C4=C1C5=C(C(=O)OC5)C(=C4)O)=O is Paramagnetoquinone C. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule [H]C(=O)N1CCNCC1 [H]C(=O)N1CCNCC1 is A member of the class of piperazine-1-carbaldehydes that is piperazine substituted by a formyl group at position 1. It is also related to or classified as piperazine-1-carbaldehydes .
The molecule [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@](C)(CCC[C@@]21CO)C(O)=O [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@](C)(CCC[C@@]21CO)C(O)=O is gibberellin A44 diacid. It is a conjugate acid of gibberellin A44 (2-) (diacid form) . It is also related to or classified as C20-gibberellin , dicarboxylic acid .
The molecule [C@@H]1(CC(C=C2[C@]1([C@@]3([C@@](CC2)([C@]4([C@](CC3)(C(CC4)=O)C)[H])[H])[H])C)=O)O [C@@H]1(CC(C=C2[C@]1([C@@]3([C@@](CC2)([C@]4([C@](CC3)(C(CC4)=O)C)[H])[H])[H])C)=O)O is an androstanoid that is androst-4-ene-3,17-dione in which the hydrogen at the 1alpha position has been replaced by a hydroxy group. Its functional parent is androst-4-ene-3,17-dione . It is also related to or classified as 17-oxo steroid  . It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as androstanoid , 1-hydroxy steroid .
The molecule COC1=CC(=CC2=C1O[C@@H]([C@H]2C(=O)NCCCCN=C(N)N)C3=CC=C(C=C3)O)/C=C/C(=O)NCCCCN=C(N)N is a member of the class of benzofurans that is a heterodimer of feruloylagmatine and para-coumarylagmatine where the former's hydroxy group has reacted across the latter's ethene double bond resulting in oxidative coupling to form a furan ring. It has a role as a metabolite. It is a member of guanidines, a member of benzofurans, a dicarboxylic acid diamide, a member of phenols and an aromatic ether. It derives from a feruloylagmatine and a p-coumaroylagmatine.
The molecule CCC[C@H](CCCCCCCC1=C(C(=CC(=C1)O)O)C(=O)O[C@H](CCC)CCCCCCCC2=CC(=CC(=C2)O)O)O is a benzoate ester obtained by the formal condensation of the hydroxy group of 5-(8-hydroxyundecyl)benzene-1,3-diol with 4,6-dihydroxy benzoic acid which is also substituted by a 8-hydroxyundecyl group at position 2. It is isolated from Cytonaema sp. and has anti-HIV-1 activity. It has a role as a metabolite and a HIV-1 integrase inhibitor. It is a member of resorcinols, a benzoate ester and a secondary alcohol.
The molecule CCCCCCCCCCCCCCCO is a long-chain fatty alcohol that is pentadecane in which one of the terminal methyl hydrogens is replaced by a hydroxy group It is a long-chain primary fatty alcohol and a primary alcohol.
The molecule O([C@H]1[C@@H](OC(=O)C)C(O[C@@H](OCC2O[C@@H](OC3=C(OC=4C(C3=O)=C(O)C=C(OC)C4)C5=CC(O)=C(O)C=C5)C(O)C(O)[C@H]2O)C1O)C)[C@@H]6OC([C@H](O)[C@H](O)C6O)C O([C@H]1[C@@H](OC(=O)C)C(O[C@@H](OCC2O[C@@H](OC3=C(OC=4C(C3=O)=C(O)C=C(OC)C4)C5=CC(O)=C(O)C=C5)C(O)C(O)[C@H]2O)C1O)C)[C@@H]6OC([C@H](O)[C@H](O)C6O)C is Rhamnetin 3-rhamnosyl-(1->3)(4'''-acetylrhamnosyl)(1->6)-galactoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule N[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]1O N[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]1O is A 3-amino-3-deoxy-D-glucopyranose that has alpha-configuration at the anomeric position. Its functional parent is alpha-D-glucose . It is also related to or classified as 3-amino-3-deoxy-D-glucopyranose  .
The molecule C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4 C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4 is N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule Cl[C@@H]1C=C2C(=O)C3=C(O)C=C(O)C=C3C([C@]2(C[C@@H]4C(=C)CC[C@@H](C4(C)C)Cl)OC1(C)C)=O Cl[C@@H]1C=C2C(=O)C3=C(O)C=C(O)C=C3C([C@]2(C[C@@H]4C(=C)CC[C@@H](C4(C)C)Cl)OC1(C)C)=O is Napyradiomycin B2. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C(CCCCO)CCC/C=C\\C/C=C\\C/C=C\\CCCC(=O)[O-] is an omega-hydroxy fatty acid anion that is the conjugate base of 20-HETrE, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is an omega-hydroxy fatty acid anion, an icosanoid anion, a hydroxy polyunsaturated fatty acid anion and a long-chain fatty acid anion. It is a conjugate base of a 20-HETrE.
The molecule S(O)(=O)(=O)CCNC(=O)CC[C@H]([C@@]1([C@@]2([C@]([C@]3([C@@]([C@@]4([C@](CC3)(C[C@H](OC5OC(C(O)C(O)C5O)C(O)=O)CC4)[H])C)(CC2)[H])[H])(CC1)[H])C)[H])C S(O)(=O)(=O)CCNC(=O)CC[C@H]([C@@]1([C@@]2([C@]([C@]3([C@@]([C@@]4([C@](CC3)(C[C@H](OC5OC(C(O)C(O)C5O)C(O)=O)CC4)[H])C)(CC2)[H])[H])(CC1)[H])C)[H])C is Taurolithocholic acid 3-glucuronide. It is also related to or classified as bile acid taurine conjugate .
The molecule NC(=O)OCC(COC(N)=O)c1ccccc1 NC(=O)OCC(COC(N)=O)c1ccccc1 is the bis(carbamate ester) of 2-phenylpropane-1,3-diol. An anticonvulsant, it is used in the treatment of epilepsy. It has the role of anticonvulsant . It has the role of neuroprotective agent . It is also related to or classified as carbamate ester .
The molecule [C@@]1([C@@]2([C@@]([C@@]3(CC[C@@]4(C[C@@]3([C@H]2C(=O)[O-])CC4=C)O)[H])(CO)CCC1)[H])(C)C(=O)[O-] [C@@]1([C@@]2([C@@]([C@@]3(CC[C@@]4(C[C@@]3([C@H]2C(=O)[O-])CC4=C)O)[H])(CO)CCC1)[H])(C)C(=O)[O-] is A dicarboxylic acid anion obtained by deprotonation of both carboxy groups of gibberellin A44 (diacid form). It is also related to or classified as dicarboxylic acid dianion  . It is also related to or classified as gibberellin carboxylic acid anion .
The molecule CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(O)=O CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(O)=O is A 39 amino acid porcine cathelicidin that is rich in proline and arginine residues. It plays a pivotal role in the innate immune defence of the pig against infections and exhibits antimicrobial and immunomodulatory activities. It has the role of antibacterial agent . It has the role of antifungal agent . It has the role of immunomodulator . It has the role of anti-inflammatory agent . It has the role of apoptosis inhibitor . It has the role of mammalian metabolite . It is also related to or classified as cathelicidin .
The molecule O=C1N(C=2C=CC=CC2[C@@H]1C[C@H]3C(=C)[C@@]4([C@H]([C@]5([C@@H](O[C@H](C(O)(C)C)CC5)CC4)C)CC3)C)C(C=C)(C)C O=C1N(C=2C=CC=CC2[C@@H]1C[C@H]3C(=C)[C@@]4([C@H]([C@]5([C@@H](O[C@H](C(O)(C)C)CC5)CC4)C)CC3)C)C(C=C)(C)C is Anthcolorin B. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O=C1OC(=O)C(=C1CCCCCCCCCCCCCCCC/C=C(\C(=O)O)/CC(=O)O)C O=C1OC(=O)C(=C1CCCCCCCCCCCCCCCC/C=C(\C(=O)O)/CC(=O)O)C is Skeletocutin K. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule C1[C@H](C=C[C@]1(C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O is a cyanogenic glycoside that is (4R)-4-hydroxycyclopent-2-ene-1-carbonitrile attached to a beta-D-glucopyranosyloxy at position 1. It is a beta-D-glucoside, a cyanogenic glycoside, a monosaccharide derivative and an aliphatic nitrile.
The molecule CC(C)(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O)O is an acyl-CoA oxoanion resulting from the removal of all four protons from the phosphate groups of 3-hydroxyisovaleryl-CoA. Major species at pH 7.3. It is a conjugate base of a 3-hydroxyisovaleryl-CoA.
The molecule OC1=CC2=C(C[NH2+]CC2)C=C1O OC1=CC2=C(C[NH2+]CC2)C=C1O is A secondary ammonium ion that is the conjugate acid of  norsalsolinol arising from the protonation of the amino group; major species at pH 7.3. It is a conjugate acid of norsalsolinol . It is also related to or classified as secondary ammonium ion  .
The molecule C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C([O-])=O C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C([O-])=O is A carbohydrate acid anion that is the conjugate base of L-rhamnonic acid; 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 rhamnonate , carbohydrate acid anion .
The molecule [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@](C)(CCC[C@@]21C)C(O)=O [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@](C)(CCC[C@@]21C)C(O)=O is A C20-gibberellin, initially identified in Vicia faba, that is gibberellin A12 in which a hydroxy substituent is present at the 7alpha- position. It has the role of plant metabolite . It is a conjugate acid of gibberellin A53(2-) . It is also related to or classified as C20-gibberellin , dicarboxylic acid .
The molecule CCCCCCCCCCCC(=O)OCN1C(=O)CCC2=C1C=C(C=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl is a dodecanoate ester obtained by formal condensation of the carboxy group of dodecanoic acid with the hydroxy group of 7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-2-oxo-3,4-dihydroquinolin-1(2H)-yl]methanol. A prodrug for aripiprazole, it is used for treatment of schizophrenia. It has a role as a H1-receptor antagonist, a second generation antipsychotic, a serotonergic agonist and a prodrug. It is a dodecanoate ester, a quinolone, a dichlorobenzene, a N-arylpiperazine, a N-alkylpiperazine, an aromatic ether and a delta-lactam.
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)[C@H](C)CO)C)CNC C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)[C@H](C)CO)C)CNC is 4-chloro-N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule OC(=O)C(=O)Nc1cccc(c1)C(O)=O OC(=O)C(=O)Nc1cccc(c1)C(O)=O is 3-(oxaloamino)benzoic acid. Its functional parent is 3-aminobenzoic acid . It is also related to or classified as (oxaloamino)benzoic acid .
The molecule C[N+](C)(C)CCCC([C@@H](C(=O)O)N)O is the 3-hydroxy derivative of N(6),N(6),N(6)-trimethyl-L-lysine It has a role as a human metabolite and a mouse metabolite. It is a quaternary ammonium ion and a N(6),N(6),N(6)-trimethyl-L-lysine. It is a tautomer of a 3-hydroxy-N(6),N(6),N(6)-trimethyl-L-lysine zwitterion.
The molecule C(C[C@@H](C(=O)N)N)CN=C(N)N is an amino acid amide resulting from the formal condensation of the carboxy group of L-arginine with ammonia. It is an amino acid amide, a member of guanidines and a L-arginine derivative. It is a conjugate base of a L-arginine amide(1+).
The molecule [H][C@@]12CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O [H][C@@]12CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O is A steroid glucosiduronic acid having androsterone as the steroid component. It has the role of metabolite . It has the role of mouse metabolite . It has the role of human metabolite . Its functional parent is androsterone . Its functional parent is beta-D-glucuronic acid . It is also related to or classified as beta-D-glucosiduronic acid , steroid glucosiduronic acid .
The molecule S1S[C@]23N([C@@H]4[C@@H](O)[C@@H](OC)CC([C@@H]4C2)=O)C([C@]15N([C@@H]6[C@@H](O)C=CC([C@H]6C5)=O)C3=O)=O S1S[C@]23N([C@@H]4[C@@H](O)[C@@H](OC)CC([C@@H]4C2)=O)C([C@]15N([C@@H]6[C@@H](O)C=CC([C@H]6C5)=O)C3=O)=O is Brocazine A.  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 C([C@@H](C(=O)O)N)OC(=O)N is a non-proteinogenic L-alpha-amino acid that is the O-carbamoyl derivative of L-serine. It is a non-proteinogenic L-alpha-amino acid and a L-serine derivative. It is a tautomer of an O-carbamoyl-L-serine zwitterion.
The molecule CC/C=C\\C/C=C\\C=C\\[C@@H](C/C=C\\C/C=C\\CCCC(=O)O)O is an 11-HEPE that consists of (5Z,8Z,12E,14Z,17Z)-icosapentaenoic acid in which the hydroxy group is located at the 11R-position. It has a role as a human xenobiotic metabolite, an anti-inflammatory agent and an algal metabolite. It is a conjugate acid of an 11(R)-HEPE(1-).
The molecule [O-][Mn](=O)(=O)[O-] is a divalent inorganic anion obtained by removal of both protons from manganic acid. It is a manganese oxoanion and a divalent inorganic anion. It is a conjugate base of a hydrogen manganate.
The molecule [N+]12([C@]3(C[C@H](OC(C(C4=CC=CC=C4)(C5=CC=CC=C5)O)=O)C[C@@]1(CC3)[H])[H])CCCC2.[Cl-] [N+]12([C@]3(C[C@H](OC(C(C4=CC=CC=C4)(C5=CC=CC=C5)O)=O)C[C@@]1(CC3)[H])[H])CCCC2.[Cl-] is an organic chloride salt of trospium. It is an antispasmodic drug used for the treatment of overactive bladder. It has the role of muscarinic antagonist . It has the role of antispasmodic drug . It is also related to or classified as quaternary ammonium salt , organic chloride salt .
The molecule OC1[C@]2([C@]([C@]3([C@](C1)(C(=O)CC3)C)[H])(CCC=4[C@@]2(CCC(=O)C4)C)[H])[H] OC1[C@]2([C@]([C@]3([C@](C1)(C(=O)CC3)C)[H])(CCC=4[C@@]2(CCC(=O)C4)C)[H])[H] is 11-Hydroxyandrostenedione. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule O[Bi]1OC(=O)c2ccccc2O1 O[Bi]1OC(=O)c2ccccc2O1 is A bismuth salt of salicylic acid. It is also related to or classified as salicylates , bismuth coordination entity .
The molecule CC1(CC(=O)C2=C(C3=C(C=C(C=C3C=C2O1)O)OC)O)O is a naphtho-gamma-pyrone that is 2,3-dihydro-4H-benzo[g]chromen-4-one bearing a methyl substituent at position 2, a methoxy substituent at position 6 and three hydroxy substituents at positions 2, 5 and 8. It has a role as an Aspergillus metabolite and a marine metabolite. It is a naphtho-gamma-pyrone, a cyclic hemiketal, a member of phenols, an aromatic ether and a heptaketide.
The molecule [H]C(=O)\C=C\[C@@H](O)CCCCC [H]C(=O)\C=C\[C@@H](O)CCCCC is the S stereoisomer of (E)-4-hydroxynon-2-enal. It is also related to or classified as (E)-4-hydroxynon-2-enal  .
The molecule C1CC(C1C1=CC=CC=C1)C1=CC=CC=C1 C1CC(C1C1=CC=CC=C1)C1=CC=CC=C1 is A member of the class of cyclobutanes that is cyclobutane in which a hydrogen at positions 1 and 2 is replaced by a phenyl group. It is also related to or classified as cyclobutanes , benzenes .
The molecule [C@@]1([C@@]2([C@@]([C@@]3(CC[C@@]4(C[C@@]3([C@H]2C(=O)[O-])CC4=C)O)[H])(C)CCC1)[H])(C)C(=O)[O-] [C@@]1([C@@]2([C@@]([C@@]3(CC[C@@]4(C[C@@]3([C@H]2C(=O)[O-])CC4=C)O)[H])(C)CCC1)[H])(C)C(=O)[O-] is A dicarboxylic acid anion obtained by deprotonation of both carboxy groups of gibberellin A53. It is also related to or classified as dicarboxylic acid dianion  . It is also related to or classified as gibberellin carboxylic acid anion .
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 deoxygalactonolactone with the hydroxy group at position 6 replaced by hydrogen. It is also related to or classified as deoxygalactonolactone .
The molecule O=C1OC(=O)C(=C1CCCCCCCCCCCCCC/C=C(\C(=O)O)/CC(=O)O)C O=C1OC(=O)C(=C1CCCCCCCCCCCCCC/C=C(\C(=O)O)/CC(=O)O)C is Skeletocutin J. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule ClC1=CC=2N(CCC2C=C1C)C(=O)NC=3C=CC(OC4=C(N=CC=C4)C)=NC3[H].Cl[H].Cl[H] ClC1=CC=2N(CCC2C=C1C)C(=O)NC=3C=CC(OC4=C(N=CC=C4)C)=NC3[H].Cl[H].Cl[H] is 6-chloro-5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-2,3-dihydroindole-1-carboxamide;dihydrochloride. It has the role of receptor modulator . It is also related to or classified as pyridine  . It is also related to or classified as indole alkaloid , organic molecular entity .
The molecule C1CSSC1CCCCC(=O)N is a monocarboxylic acid amide resulting from the formal condensation of the carboxy group of lipoic acid with ammonia. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a member of dithiolanes and a monocarboxylic acid amide. It derives from a lipoic acid.
The molecule C(=O)(C(F)(F)F)C(F)(F)F is a ketone that is acetone in which all the methyl hydrogens are replaced by fluoro groups. It is a ketone and a perfluorinated compound.
The molecule Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@H]1Cl Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@H]1Cl is alpha-hexachlorocyclohexane. It has the role of persistent organic pollutant . It is also related to or classified as hexachlorocyclohexane  .
The molecule CC1(C)[C@@H](\C=C/C(=O)OC(C(F)(F)F)C(F)(F)F)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1 CC1(C)[C@@H](\C=C/C(=O)OC(C(F)(F)F)C(F)(F)F)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1 is acrinathrin. It has the role of pyrethroid ester insecticide . It has the role of pyrethroid ester acaricide . Its functional parent is diphenyl ether . It is also related to or classified as organofluorine compound  . It is also related to or classified as cyclopropanecarboxylate ester .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O is a glycosylglucose that is alpha-D-glucopyranose in which the hydroxy group at position 4 has been glycosylated by an alpha-L-fucopyranosyl group. It is a glycoside and a glycosylglucose. It derives from an alpha-L-fucose and an alpha-D-glucose.
The molecule CC(C)=CCc1c(O)ccc(c1O)-c1coc2cc(O)cc(O)c2c1=O CC(C)=CCc1c(O)ccc(c1O)-c1coc2cc(O)cc(O)c2c1=O is A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by additional hydroxy groups at positions 5, 2' and 4' and a prenyl group at position 3'. It has the role of metabolite . It is also related to or classified as 7-hydroxyisoflavones  .
The molecule O[C@H]1[C@H](O)[C@@H](O)[C@H]2OP([O-])(=O)O[C@H]2[C@@H]1O O[C@H]1[C@H](O)[C@@H](O)[C@H]2OP([O-])(=O)O[C@H]2[C@@H]1O is anion of 1D-myo-inositol 1,2-cyclic phosphate. It is also related to or classified as inositol phosphate oxoanion .