anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C([C@H](CC1=CC=CC=C1)[N+](C)(C)C)([O-])=O C([C@H](CC1=CC=CC=C1)[N+](C)(C)C)([O-])=O is an L-phenylalanine derivative obtained by trimethylation of the amino function of L-phenylalanine.  It is also related to or classified as phenylalanine betaine  . It is also related to or classified as L-phenylalanine derivative .
The molecule OCC(CC(C)C)=O OCC(CC(C)C)=O is 1-hydroxy-4-methylpentan-2-one. Its functional parent is pentan-2-one . It is also related to or classified as primary alpha-hydroxy ketone  .
The molecule C1CCCN(CCC1)CCN=C(N)N is a member of the class of guanidines in which one of the hydrogens of the amino group has been replaced by a 2-azocan-1-ylethyl group. It has a role as an antihypertensive agent, an adrenergic antagonist and a sympatholytic agent. It is a member of guanidines and a member of azocanes. It derives from a guanidine. It derives from a hydride of an azocane.
The molecule CC1=CC2=C(C=C1NC)N(C3=NC(=NC(=O)C3=N2)[O-])C[C@@H]([C@@H]([C@@H](CO)O)O)O is an organic anion that is the conjugate base of 8-demethyl-8-(methylamino)riboflavin, obtained by removal of the imide proton at position 3. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of an 8-demethyl-8-(methylamino)riboflavin.
The molecule C1(C2=C(N=C(N1)N)NCC([N+]2=C)CN)=O C1(C2=C(N=C(N1)N)NCC([N+]2=C)CN)=O is an iminium ion with formula C8H13N6O, that is an intermediate in the biosynthesis of methanopterin by Methanocaldococcus jannaschii. It has the role of bacterial metabolite . It is also related to or classified as iminium ion .
The molecule c1ccc2nnccc2c1 c1ccc2nnccc2c1 is an azaarene that is the 1,2-diaza analogue of naphthalene. The parent of the class of cinnolines. It is also related to or classified as mancude organic heterobicyclic parent , cinnolines , azaarene , ortho-fused heteroarene .
The molecule C12=C(N=C(C(N1)C)C(O)C)C(NC(=N2)N)=O C12=C(N=C(C(N1)C)C(O)C)C(NC(=N2)N)=O is A dihydropterin that is 7,8-dihydropteridin-4-one substituted at positions 2, 6 and 7 by amino, 1-hydroxyethyl and methyl groups respectively. It has the role of bacterial metabolite .  It is also related to or classified as secondary alcohol  . It is also related to or classified as aromatic amine , dihydropterin .
The molecule CC(=O)NCCCC(C(=O)O)N is an ornithine derivative in which one of the amino hydrogens on the side-chain of ornithine has been replaced by an acetyl group. It is a tautomer of a N(5)-acetylornithine zwitterion.
The molecule O[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O O[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O is A D-mannopyranose 6-phosphate with a beta-configuration at the anomeric position. It is also related to or classified as D-mannopyranose 6-phosphate  .
The molecule OC[C@H](CC(C)C)[NH3+] OC[C@H](CC(C)C)[NH3+] is (S)-leucinol(1+). It is also related to or classified as primary alcohol  . It is also related to or classified as primary ammonium ion  .
The molecule CC(C=O)C(=O)[O-] is the conjugate base of 2-methyl-3-oxopropanoic acid; major species at pH 7.3. It has a role as a human metabolite. It is a conjugate base of a 2-methyl-3-oxopropanoic acid.
The molecule COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@@H]([C@H](O)[C@H](C)O5)N5CCOCC5C#N)c4c(O)c3C(=O)c12)C(=O)CO COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@@H]([C@H](O)[C@H](C)O5)N5CCOCC5C#N)c4c(O)c3C(=O)c12)C(=O)CO is 3'-deamino-3'-(3-cyanomorpholin-4-yl)doxorubicin. It has the role of antineoplastic agent . Its functional parent is doxorubicin . It is also related to or classified as primary alpha-hydroxy ketone  . It is also related to or classified as tertiary alpha-hydroxy ketone  . It is also related to or classified as nitrile  . It is also related to or classified as morpholines .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)COP(=O)(O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O is a UDP-amino sugar that is UDP-N-acetyl-D-glucosamine having an beta-D-galactose-1-phospho moiety attached at position 6. It derives from an UDP-D-glucosamine. It is a conjugate acid of an UDP-N-acetyl-6-(D-galactose-1-phosphonato)-D-glucosamine(3-).
The molecule O1[C@@H]([C@@H]1C/C=C\C/C=C\C/C=C\C/C=C\CCCC(OC)=O)CC O1[C@@H]([C@@H]1C/C=C\C/C=C\C/C=C\C/C=C\CCCC(OC)=O)CC is (+/-)17(18)-EpETE methyl ester. It is also related to or classified as fatty acid methyl ester  .
The molecule CC(C)C(O)CO CC(C)C(O)CO is A glycol in which the two hydroxy groups are located at positions 1 and 2 of isopentane. It has the role of metabolite . It is also related to or classified as glycol  .
The molecule C(C(=O)O)(NC(=O)N)O is a ureidocarboxylic acid. It has a role as a Saccharomyces cerevisiae metabolite. It derives from a glycolic acid.
The molecule [H][C@@]12CCC(C)(C)[C@@]1([H])CC[C@]13C[C@H](C)[C@H](CC[C@@]1([H])[C@@H]2C)C3 [H][C@@]12CCC(C)(C)[C@@]1([H])CC[C@]13C[C@H](C)[C@H](CC[C@@]1([H])[C@@H]2C)C3 is grayanotoxane. It is also related to or classified as diterpene  . It is also related to or classified as terpenoid fundamental parent .
The molecule CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O is a beta-D-glucosyl-(1<->1')-N-acylsphinganine in which the acyl group specified is tetracosanoyl. It has a role as a mouse metabolite. It derives from a tetracosanoic acid.
The molecule O[C@@H](CCC)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(O)=O O[C@@H](CCC)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(O)=O is 17(S)-HETE. It is also related to or classified as hydroxy fatty acid , polyunsaturated fatty acid .
The molecule CC(C)C(=O)CO CC(C)C(=O)CO is A primary alpha-hydroxy ketone that is 3-methylbutane-1,2-diol in which the hydroxy group at position 2 has been formally oxidised to give the corresponding ketone. Its functional parent is butan-2-one . Its functional parent is 3-methylbutane-1,2-diol . It is also related to or classified as primary alpha-hydroxy ketone  .
The molecule C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O)N)O is a tripeptide composed of L-threonine, L-proline, and L-tyrosine joined by peptide linkages. It has a role as a metabolite. It derives from a L-threonine, a L-proline and a L-tyrosine.
The molecule CCC(=O)N1[C@@H]([C@@H]([C@H]1CO)C2=CC=CC=C2)CN(C)C(=O)CN3CCOCC3 CCC(=O)N1[C@@H]([C@@H]([C@H]1CO)C2=CC=CC=C2)CN(C)C(=O)CN3CCOCC3 is N-[[(2S,3S,4S)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]-N-methyl-2-(4-morpholinyl)acetamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CN(C)CN1C(=O)/C(=C\\C2=CC=C(C=C2)OC)/SC1=O is a member of the class of thiazolidinones that is 3-[(dimethylamino)methyl]-1,3-thiazolidine-2,4-dione bearing an additional (4-methoxyphenyl)methylidene substituent at position 5. It is a thiazolidinone, a tertiary amino compound, an aromatic ether and an olefinic compound.
The molecule CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC is a phosphatidylcholine 34:4 in which teh acyl groups specified at positions 1 and 2 are tetradecanoyl and (5Z,8Z,11Z,14Z)-eicosatetraenoyl respectively. It is a phosphatidylcholine 34:4 and a tetradecanoate ester. It derives from an arachidonic acid.
The molecule CC([C@@H](CO)[NH3+])C CC([C@@H](CO)[NH3+])C is (2S)-2-amino-3-methylbutan-1-ol(1+). It is also related to or classified as primary alcohol  . It is also related to or classified as primary ammonium ion  .
The molecule C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OCC[C@@H]3CC[C@H]([C@@H](O3)CN(C1=O)C)OC)C)OC C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OCC[C@@H]3CC[C@H]([C@@H](O3)CN(C1=O)C)OC)C)OC is LSM-37379. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\\CCCCCCCC)COC(=O)CCCCCCC/C=C\\CCCCCCCC is a triglyceride formed by esterification of the three hydroxy groups of glycerol with oleic acid. Triolein is one of the two components of Lorenzo's oil. It has a role as a plant metabolite and a Caenorhabditis elegans metabolite. It derives from an oleic acid.
The molecule C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O.Cl is the anhydrous form of the monohydrochloride salt of ciprofloxacin. It has a role as an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor, an antibacterial drug, a topoisomerase IV inhibitor and an antiinfective agent. It contains a ciprofloxacin.
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O is beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-D-GlcpNAc in which the configuration of the anomeric centre of the reducing-end N-acetylglucosamine residue is beta. It has a role as an epitope.
The molecule C1(C2CC34C(C1(OC2(CC3O)C)C)CCC4C)[NH2+]CCCCC[NH+](C)C C1(C2CC34C(C1(OC2(CC3O)C)C)CCC4C)[NH2+]CCCCC[NH+](C)C is major microspecies at pH 7.3. Its functional parent is pre-flavunoidine(2+) . It is also related to or classified as oxolane  .
The molecule C1C[C@H](N(C1)C(=O)[C@H](CS)N)C(=O)O is a dipeptide composed of L-cysteine and L-proline joined by a peptide linkage. It has a role as a metabolite. It derives from a L-cysteine and a L-proline.
The molecule [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCCCCCCCCCC)[C@H](C)CCCC(C)C [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCCCCCCCCCC)[C@H](C)CCCC(C)C is A cholesterol ester obtained by the formal condensation of cholesterol with palmitic acid. It has the role of mouse metabolite . It has the role of human metabolite . Its functional parent is hexadecanoic acid . It is also related to or classified as cholesteryl ester  .
The molecule Cc1onc(-c2ccccc2)c1-c1ccc(cc1)S(N)(=O)=O Cc1onc(-c2ccccc2)c1-c1ccc(cc1)S(N)(=O)=O is A member of the class of isoxazoles that is isoxazole which is substituted at positions 3, 4 and 5 by phenyl, p-sulfamoylphenyl and methyl groups, respectively. A selective cyclooxygenase 2-inhibitor, it used as a nonsteroidal anti-inflammatory drug (NSAID) for the treatment of arthritis from 2001 until 2005, when it was withdrawn following concerns of an associated increased risk of heart attack and stroke. It has the role of non-steroidal anti-inflammatory drug . It has the role of non-narcotic analgesic . It has the role of antipyretic . It has the role of antirheumatic drug . It has the role of cyclooxygenase 2 inhibitor . It is also related to or classified as sulfonamide  . It is also related to or classified as isoxazoles  .
The molecule CS(=O)C is a 2-carbon sulfoxide in which the sulfur atom has two methyl substituents. It has a role as a polar aprotic solvent, a radical scavenger, a non-narcotic analgesic, an antidote, a MRI contrast agent, an Escherichia coli metabolite and an alkylating agent. It is a sulfoxide and a volatile organic compound.
The molecule [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)[C@H]([C@H](C)O)C)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)[C@H]([C@H](C)O)C)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is an acyl-CoA(4-) that is the tetraanion of (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA, arising from deprotonation of the phosphate and diphosphate OH groups. It has the role of human metabolite . It is also related to or classified as acyl-CoA(4-)  .
The molecule CCN1C(=O)C2=C(N=C1SCC(O)NC1=CC(F)=CC=C1F)C(=CN2)C1=CC=CC=C1 CCN1C(=O)C2=C(N=C1SCC(O)NC1=CC(F)=CC=C1F)C(=CN2)C1=CC=CC=C1 is A pyrrolopyrimidine that is 3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one substituted by [2-(2,5-difluoroanilino)-2-hydroxyethyl]sulfanediyl, ethyl, and phenyl groups at positions 2, 3, and 7, respectively. It inhibits androgen-induced ROS production. It is also related to or classified as organic sulfide  . It is also related to or classified as difluorobenzene  .   It is also related to or classified as hemiaminal  . It is also related to or classified as pyrrolopyrimidine , substituted aniline .
The molecule [H+].CC1=CC2=CC3=C(C=C(C(=C3)C)N)N=C2C=C1N.[Cl-] is a hydrochloride and a member of aminoacridines. It has a role as a fluorochrome. It contains an acridine yellow cation.
The molecule [C@@H]([C@@H]([C@@H](/C=C(/C([C@H]([C@H]([C@@H](CCCC)C)O)C)=O)\C)OC)O)(C(N/C=C\C=1C=C(C(=CC1)O)Cl)=O)OCC [C@@H]([C@@H]([C@@H](/C=C(/C([C@H]([C@H]([C@@H](CCCC)C)O)C)=O)\C)OC)O)(C(N/C=C\C=1C=C(C(=CC1)O)Cl)=O)OCC is A monocarboxylic acid amide with formula C28H42ClNO7, that is produced by Chondromyces crocatus and exhibits antibiotic properties. It has the role of antimicrobial agent . It has the role of bacterial metabolite . It is also related to or classified as diol  . It is also related to or classified as ether  . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as phenols  . It is also related to or classified as secondary alcohol  . It is also related to or classified as enone  . It is also related to or classified as monochlorobenzenes .
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@H](C)CO)C)CN(C)CC4CC4 C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@H](C)CO)C)CN(C)CC4CC4 is 1-cyclohexyl-3-[(3R,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O is a D-tagatose 6-phosphate that is in the open-chain keto-form. It derives from a keto-D-tagatose. It is a conjugate acid of a keto-D-tagatose 6-phosphate(2-). It is an enantiomer of a keto-L-tagatose 6-phosphate.
The molecule CC1=CC(NN=C2CCC(CC2)C2=CC=CC=C2)=C2C=CC=CC2=N1 CC1=CC(NN=C2CCC(CC2)C2=CC=CC=C2)=C2C=CC=CC2=N1 is A member of the class of aminoquinolines that is quinoline substituted by methyl and 2-(4-phenylcyclohexylidene)hydrazinyl groups at positions 2 and 4, respectively. It inhibits ROS production.  It is also related to or classified as aminoquinoline  . It is also related to or classified as hydrazone  . It is also related to or classified as benzenes .
The molecule C1=CC(=NC(=C1)C(=O)O)C(=O)O is a pyridinedicarboxylic acid carrying two carboxy groups at positions 2 and 6. It has a role as a bacterial metabolite. It is a conjugate acid of a dipicolinate(1-).
The molecule CC(=C)C1CC\C(C)=C\CC\C(C)=C\C1 CC(=C)C1CC\C(C)=C\CC\C(C)=C\C1 is germacrene A.  It is also related to or classified as sesquiterpene  . It is also related to or classified as germacrene .
The molecule O1C2=C(C(=O)C=C1C3=CC=CC=C3)C=CC(OC)=C2 O1C2=C(C(=O)C=C1C3=CC=CC=C3)C=CC(OC)=C2 is 7-Methoxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)O)O)O)O)O)O)O)O)O)O)O is a trisaccharide consisting of alpha-D-glucopyranose, alpha-D-galactopyranose and alpha-D-glucopyranose residues joined in sequence by (1->6) glycosidic bonds. It derives from an alpha-D-Glcp-(1->6)-alpha-D-Galp.
The molecule [H][C@@]12CC[C@@]34C[C@@H](C)[C@@H](CC[C@]3([H])[C@@]1(C)CCCC2(C)C)C4 [H][C@@]12CC[C@@]34C[C@@H](C)[C@@H](CC[C@]3([H])[C@@]1(C)CCCC2(C)C)C4 is kaurane. It is also related to or classified as diterpene  . It is also related to or classified as terpenoid fundamental parent .
The molecule CC1=C(C(=O)C(=C(C1=O)OC)OC)C/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)/CC/C=C(\\C)/CCC=C(C)C is a ubiquinone having a side chain of 10 isoprenoid units. In the naturally occurring isomer, all isoprenyl double bonds are in the E- configuration. It has a role as a human metabolite and an antioxidant.
The molecule OC[C@H]1O[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O is A glycosylmannose consisting of alpha-D-mannose having a beta-D-mannosyl residue attached at the 2-position. It is also related to or classified as glycosylmannose .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4=CC(=C(C=C4)Cl)Cl C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4=CC(=C(C=C4)Cl)Cl is N-[(3R,9R,10R)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C(/C=C/CC(=O)[O-])C(=O)C(=O)[O-] is a dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of 2-oxohept-4-ene-1,7-dioic acid; major species at pH 7.3. It is a conjugate base of a 2-oxohept-4-ene-1,7-dioic acid. It is a tautomer of a 2-hydroxyhepta-2,4-dienedioate.
The molecule NCCCCCO[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 NCCCCCO[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 is A disaccharide derivative consisting of a alpha-D-mannosyl residue glycosidically linked to a 5-aminopentyl group and which carries at O-2 a beta-D-mannosyl residue. Its functional parent is beta-D-Manp-(1->2)-alpha-D-Manp . It is also related to or classified as glycoside  . It is also related to or classified as disaccharide derivative .
The molecule CC(=O)O[C@H]([C@H]1C2=C(C3=C(C=C2CCN1C)OCO3)O)C4=C(C(=C(C=C4)OC)OC)C=O is a benzylisoquinoline alkaloid that is 8-hydroxy-2-methyl-6,7-methylenedioxy-1,2,3,4-tetrahydroisoquinoline which is substituted at the 1-pro-R position by an (acetyloxy)(2-formyl-3,4-dimethoxyphenyl)methyl group. An intermediate in the biosynthesis of noscarpine in the opium poppy, Papaver somniferum. It has a role as a plant metabolite. It is a benzylisoquinoline alkaloid, a cyclic acetal, an acetate ester, a phenol, a member of benzaldehydes, an organic heterotricyclic compound and a tertiary amino compound.
The molecule NS(=O)(=O)c1cc(ccc1Cl)C1(O)NC(=O)c2ccccc12 NS(=O)(=O)c1cc(ccc1Cl)C1(O)NC(=O)c2ccccc12 is chlorthalidone.  It is also related to or classified as sulfonamide  . It is also related to or classified as isoindoles , monochlorobenzenes .
The molecule FC1=CC=C(CN2N=C(C(=O)NC34CC5CC(C3)CC(C4)C5)C=6C2=CC=CC6)C=C1 FC1=CC=C(CN2N=C(C(=O)NC34CC5CC(C3)CC(C4)C5)C=6C2=CC=CC6)C=C1 is AKB48 N-(4-fluorobenzyl) analog. It is also related to or classified as indazoles , aromatic amide .
The molecule CC[C@](O)(C(C)=O)C(O)=O CC[C@](O)(C(C)=O)C(O)=O is A 3-oxo monocarboxylic acid that is butanoic acid in which the hydrogens at position 2 are replaced by an acetyl and a hydroxy group (the S enantiomer). Its functional parent is butyric acid . It is a conjugate acid of (S)-2-acetyl-2-hydroxybutanoate . It is also related to or classified as tertiary alpha-hydroxy ketone  .  It is also related to or classified as 2-Aceto-2-hydroxybutanoate  . It is also related to or classified as 3-oxo monocarboxylic acid , hydroxy monocarboxylic acid .
The molecule c1cnc2ncccc2c1 c1cnc2ncccc2c1 is A naphthyridine in which the nitrogens are situated at positions 1 and 8. It is also related to or classified as naphthyridine  .
The molecule C12=C3C(=CC=C1C=CC4=C2C=C(C=C4)O)C=CC=C3 C12=C3C(=CC=C1C=CC4=C2C=C(C=C4)O)C=CC=C3 is A hydroxybenzo[c]phenanthrene that is benzo[c]phenanthrene in which the hydrogen at position 2 has been replaced by a hydroxy group. A metabolite of benzo[c]phenanthrene and a weak xenoestrogen. It has the role of xenobiotic metabolite . It has the role of xenoestrogen . It is also related to or classified as hydroxybenzo[c]phenanthrene .
The molecule CCC(C)CCCC(C)CCCC(C)C CCC(C)CCCC(C)CCCC(C)C is A sesquiterpene that is dodecane substituted by methyl groups at positions 2, 6 and 10. It has the role of plant metabolite . It is also related to or classified as alkane  . It is also related to or classified as sesquiterpene  .
The molecule [C-]#[N+][Se] is a hydracid and a one-carbon compound. It is a conjugate acid of a carbidoselenidonitrate(1-). It is a tautomer of a (methylidyneammoniumyl)selanide.
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O is an amino disaccharide that is 2-acetamido-2-deoxy-beta-D-glucopyranose in which the hydroxy group at position 3 has been converted into the corresponding alpha-D-galactopyranoside. It is an amino disaccharide, a member of acetamides and an alpha-D-galactoside. It derives from a N-acetyl-beta-D-glucosamine and an alpha-D-galactose.
The molecule O1[C@@H](CC2=C1C=C3OC(=O)C=CC3=C2)C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)(C)C O1[C@@H](CC2=C1C=C3OC(=O)C=CC3=C2)C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)(C)C is A member of the class of psoralens that is (-)-marmesin in which the hydroxy hydrogen is replaced by a beta-D-glucosyl residue. It has the role of antioxidant . It has the role of P450 inhibitor . It has the role of plant metabolite . Its functional parent is nodakenetin . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as psoralens , monosaccharide derivative .
The molecule CC(C)=C[C@@H]1[C@@H](C(=O)OCN2C(=O)CN(CC#C)C2=O)C1(C)C CC(C)=C[C@@H]1[C@@H](C(=O)OCN2C(=O)CN(CC#C)C2=O)C1(C)C is (1R)-trans-imiprothrin. Its functional parent is (+)-trans-chrysanthemic acid .  It is also related to or classified as terminal acetylenic compound  . It is also related to or classified as cyclopropanecarboxylate ester .
The molecule C1=CC=C(C=C1)C/C(=N/OS(=O)(=O)[O-])/S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O is an aralkylglucosinolate that is the conjugate base of glucotropeolin; major species at pH 7.3. It is a conjugate base of a glucotropeolin.
The molecule O1C2=C(C(=O)C=C1C3=CC=C(OC)C=C3)C(O)=C(O)C(O)=C2 O1C2=C(C(=O)C=C1C3=CC=C(OC)C=C3)C(O)=C(O)C(O)=C2 is 5,6,7-trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C(CCC/C=C\\C[C@@H](CCCCCCO)O)CCCC(=O)[O-] is a hydroxy fatty acid anion that is the conjugate base of (9Z,12R)-12,18-dihydroxyoctadecenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is an omega-hydroxy fatty acid anion, a long-chain fatty acid anion and a hydroxy monounsaturated fatty acid anion. It is a conjugate base of a (9Z,12R)-12,18-dihydroxyoctadecenoic acid.
The molecule O\C(=C\C=C/C(=O)c1ccccc1[O-])C([O-])=O O\C(=C\C=C/C(=O)c1ccccc1[O-])C([O-])=O is A hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy and phenol groups of 2-hydroxy-6-(2-hydroxyphenyl)-6-oxo-cis,cis-hexa-2,4-dienoic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is also related to or classified as hydroxy monocarboxylic acid anion , phenolate anion .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC)OC(=O)CCCCCCC/C=C\\CCCCCCCC is an N-acylphosphatidylethanolamine in which the N-acyl group is specified as arachidonoyl while the phosphatidyl acyl groups are both specified as oleoyl. It derives from an oleic acid and an arachidonic acid. It is a conjugate acid of a N-arachidonoyl-1,2-dioleoyl-sn-glycero-3-phosphoethanolamine(1-).
The molecule CC/C=C\\C/C=C/C(=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 is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2E,5Z)-octadienoic acid It is a medium-chain fatty acyl-CoA and an unsaturated fatty acyl-CoA. It is a conjugate acid of a (2E,5Z)-octadienoyl-CoA(4-).