anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1c(O)cc2oc3cc(O)c(O)cc3c(=O)c2c1O [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1c(O)cc2oc3cc(O)c(O)cc3c(=O)c2c1O is A C-glycosyl compound consisting of 1,3,6,7-tetrahydroxyxanthen-9-one having a beta-D-glucosyl residue at the 6-position. It has the role of antioxidant . It has the role of hypoglycemic agent . It has the role of anti-inflammatory agent . It has the role of plant metabolite . Its functional parent is xanthone . It is a conjugate acid of mangiferin(1-) . It is also related to or classified as C-glycosyl compound , xanthones .
The molecule CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O is valacyclovir. It has the role of antiviral drug . Its functional parent is guanine . It is also related to or classified as L-valyl ester .
The molecule O1[C@]([C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O)(C=2C(=CC=3OC=4C=C(C(=CC4C(C3C2O)=O)O)O)[O-])[H] O1[C@]([C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O)(C=2C(=CC=3OC=4C=C(C(=CC4C(C3C2O)=O)O)O)[O-])[H] is major species at pH 7.3. It is also related to or classified as phenolate anion .
The molecule OC[C@@H]1OC(O)[C@@H](O)[C@@H](O)[C@H]1O OC[C@@H]1OC(O)[C@@H](O)[C@@H](O)[C@H]1O is the L-enantiomer of allopyranose. It is also related to or classified as allopyranose  . It is also related to or classified as L-allose  .
The molecule CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O is an oligopeptide comprising of L-threonine, L-proline, L-proline, L-alanine, glycine, L-proline, L-aspartic acid, L-valine, glycine, L-proline, and L-arginine amino acids joined in sequence by peptide linkages. It is isolated from the venoms of three species of New World pit vipers from the subfamily, Crotalinae. It has the role of bradykinin receptor antagonist . It has the role of animal metabolite . It has the role of venom . It is also related to or classified as oligopeptide  .
The molecule OC[C@@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O OC[C@@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O is A L-allopyranose with a beta-configuration at the anomeric position. It is also related to or classified as L-allopyranose  .
The molecule [H]C(=O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO [H]C(=O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO is an L-allose in open-chain form. It is also related to or classified as L-allose  . It is also related to or classified as aldehydo-allose  .
The molecule [H][C@@]12C[C@]1(C)[C@H](O)C[C@]1(C)CC[C@@]3(C)CC[C@H](C(C)C)[C@]3([H])[C@@]21[H] [H][C@@]12C[C@]1(C)[C@H](O)C[C@]1(C)CC[C@@]3(C)CC[C@H](C(C)C)[C@]3([H])[C@@]21[H] is 13-epi-neoverrucosan-5beta-ol. It has the role of plant metabolite .  It is also related to or classified as diterpenoid  . It is also related to or classified as carbotetracyclic compound , organic hydroxy compound .
The molecule O=C1NC(=NC2=C1N=CN2COCCOC(=O)C([NH3+])C(C)C)N O=C1NC(=NC2=C1N=CN2COCCOC(=O)C([NH3+])C(C)C)N is valacyclovir(1+). It is a conjugate acid of valacyclovir . It is also related to or classified as primary ammonium ion  .
The molecule CCCCCN1C=C(C(=O)CC2=CC=C(OC)C=C2)C2=CC=CC=C12 CCCCCN1C=C(C(=O)CC2=CC=C(OC)C=C2)C2=CC=CC=C12 is A member of the class of indoles that is 1H-indole which is substituted at position 1 by a pentyl group and at position 3 by a (4-methoxyphenyl)acetyl group. It is a synthetic cannabinoid with relatively poor affinity for both CB1 (Ki = 1064 nM) and CB2 (Ki = 444 nM) receptors. It has the role of cannabinoid receptor agonist . It is also related to or classified as indoles , monomethoxybenzene , synthetic cannabinoid , aromatic ketone .
The molecule [H]C(=O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO [H]C(=O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO is the open chain form of D-gulose. It is also related to or classified as D-gulose  . It is also related to or classified as aldehydo-gulose  .
The molecule CCCCCC(O)CCC1CCC(=O)N1CCCCCCC(O)=O CCCCCC(O)CCC1CCC(=O)N1CCCCCCC(O)=O is A pyrrolidin-2-one substituted by 6-carboxyhexyl and 3-hydroxyoctyl groups at positions 1 and 2, respectively. It is a potent prostaglandin EP4 receptor agonist (Ki=35 nM). It has the role of prostaglandin receptor agonist . It is also related to or classified as secondary alcohol  .  It is also related to or classified as pyrrolidin-2-ones  . It is also related to or classified as hydroxy monocarboxylic acid .
The molecule C[NH2+]CCCC(=O)c1cccnc1 C[NH2+]CCCC(=O)c1cccnc1 is an organic cation that is the conjugate acid of pseudooxynicotine, obtained by protonation of the secondary amino group; major species at pH 7.3. It is a conjugate acid of pseudooxynicotine . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule NC1CCCN(C1)C(=O)OCC=C NC1CCCN(C1)C(=O)OCC=C is an aminopiperidine that is piperidin-3-amine substituted by a [(prop-2-en-1-yl)oxy]carbonyl group at position 1. It is also related to or classified as carbamate ester , aminopiperidine , piperidinecarboxylate ester , olefinic compound .
The molecule NC1CCN(CC1)C(=O)C1=CC=CO1 NC1CCN(CC1)C(=O)C1=CC=CO1 is an N-acylpiperidine that is piperidin-4-amine substituted at position 1 by a furan-2-ylcarbonyl group. It is also related to or classified as tertiary carboxamide  . It is also related to or classified as furans , aminopiperidine , N-acylpiperidine .
The molecule CCCCC(CC)COCCCN CCCCC(CC)COCCCN is A primary aliphatic amine that is 3-aminopropan-1-ol in which the hydroxy group is replaced by a (2-ethylhexyl)oxy group. Its functional parent is 3-aminopropan-1-ol . It is also related to or classified as primary aliphatic amine  . It is also related to or classified as ether  . It is also related to or classified as primary amino compound .
The molecule S1N=S=N1 S1N=S=N1 is an inorganic heterocyclic compound with formula N2S2 and consisting of alternating sulfur and nitrogen atoms making up a 4-membered ring structure that is virtually square and planar. It is shock-sensitive and decomposes explosively above 30degreeC. It is also related to or classified as sulfur molecular entity , inorganic heterocyclic compound , nitride .
The molecule COC(=O)CCCCCCCC(=O)OC COC(=O)CCCCCCCC(=O)OC is A fatty acid methyl ester that is nonanedioic acid in which both carboxy groups are replaced by methoxycarbonyl groups. It has the role of plant metabolite . Its functional parent is nonanedioic acid . It is also related to or classified as fatty acid methyl ester  . It is also related to or classified as diester  .
The molecule N[C@H]1CCSC1=O N[C@H]1CCSC1=O is A thiolactone arising from formal condensation of the mercapto (sulfanyl) and carboxylic acid groups of L-homocysteine. It has the role of human metabolite . Its functional parent is L-homocysteine . It is also related to or classified as tetrahydrothiophenes , thiolactone .
The molecule COC(=O)CCCCCCCCC(=O)OC COC(=O)CCCCCCCCC(=O)OC is A fatty acid methyl ester that is sebacic acid  in which both carboxy groups are replaced by methoxycarbonyl groups. It has the role of plant metabolite . It has the role of plasticiser . Its functional parent is sebacic acid . It is also related to or classified as fatty acid methyl ester  . It is also related to or classified as diester  .
The molecule [O-][Mo]1(=O)O[Mo]([O-])(=O)O[Mo](=O)(=O)O1 [O-][Mo]1(=O)O[Mo]([O-])(=O)O[Mo](=O)(=O)O1 is cyclo-nonaoxidotrimolybdate(2-). It is also related to or classified as inorganic aromatic compound , molybdenum oxide .
The molecule CCCCC\C=C/C\C=C/CC1OC1C\C=C/CCCC(=O)OC CCCCC\C=C/C\C=C/CC1OC1C\C=C/CCCC(=O)OC is A fatty acid methyl ester resulting from the formal condensation of the carboxy group of 8(9)-EET with methanol. Its functional parent is 8,9-EET .  It is also related to or classified as fatty acid methyl ester  . It is also related to or classified as polyunsaturated fatty ester .
The molecule C[NH2+]CCCC(=O)c1ccc(O)nc1 C[NH2+]CCCC(=O)c1ccc(O)nc1 is an organic cation that is the conjugate acid of 6-hydroxypseudooxynicotine, obtained by protonation of the secondary amino group; major species at pH 7.3. It is a conjugate acid of 6-hydroxypseudooxynicotine . It is also related to or classified as ammonium ion derivative .
The molecule [H]C(=O)\C=C\C=C\C=C/CC [H]C(=O)\C=C\C=C\C=C/CC is A nona-2,4,6-trienal in which the double bonds at positions 2 and 4 adopt trans-configuration and the double bond at position 6 adopts cis-configuration. It has the role of pheromone . It has the role of flavouring agent . It has the role of animal metabolite . It is also related to or classified as nona-2,4,6-trienal  .
The molecule C[NH2+]CCCC([O-])=O C[NH2+]CCCC([O-])=O is an amino acid zwitterion resulting from the transfer of a proton from the carboxy group to the amino group of 4-(methylamino)butyric acid. It is also related to or classified as amino-acid zwitterion .
The molecule CC(O)(C[C@H](N)C(O)=O)C(O)=O CC(O)(C[C@H](N)C(O)=O)C(O)=O is A 4-hydroxy-4-methylglutamic acid that has L-configuration. It has the role of metabolite . It is also related to or classified as 4-hydroxy-4-methylglutamic acid  . It is also related to or classified as non-proteinogenic L-alpha-amino acid , L-glutamic acid derivative .
The molecule CC(O)(CC(N)C(O)=O)C(O)=O CC(O)(CC(N)C(O)=O)C(O)=O is A non-proteinogenic alpha-amino acid that is glutamic acid substituted by a hydroxy and a methyl group at position 4.   It is also related to or classified as tertiary alcohol  . It is also related to or classified as glutamic acid derivative , hydroxy-amino acid , amino dicarboxylic acid , non-proteinogenic alpha-amino acid .
The molecule CNC[C@H](O)c1ccc(O)c(O)c1 CNC[C@H](O)c1ccc(O)c(O)c1 is the R-enantiomer of adrenaline. It is a hormone secreted by the adrenal glands resulting in the 'fight-or-flight' response. It has the role of hormone . It has the role of beta-adrenergic agonist . It has the role of bronchodilator agent . It has the role of sympathomimetic agent . It has the role of alpha-adrenergic agonist . It has the role of vasodilator agent . It has the role of adrenergic agonist . It has the role of mydriatic agent . It has the role of vasoconstrictor agent . It has the role of mouse metabolite . It is also related to or classified as 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol  .
The molecule O=C1SCCC1[NH3+] O=C1SCCC1[NH3+] is L-homocysteine thiolactone(1+). It is a conjugate acid of L-homocysteine thiolactone . It is also related to or classified as primary ammonium ion  .
The molecule Oc1ccc(\C=C\C2=CC(=O)C3(O2)C(=Cc2cc(O)c(O)cc32)c2cc3oc(=O)c4cc(O)c(O)cc4c3c(=O)o2)cc1O Oc1ccc(\C=C\C2=CC(=O)C3(O2)C(=Cc2cc(O)c(O)cc32)c2cc3oc(=O)c4cc(O)c(O)cc4c3c(=O)o2)cc1O is an organic heterotricyclic compound isolated from the fruiting bodies of the fungus Phellinus igniarius. It has the role of fungal metabolite . It is also related to or classified as delta-lactone  . It is also related to or classified as polyphenol , organic heterotricyclic compound , oxaspiro compound .
The molecule C1=CC2=C(C(=C1)O)C(=O)C3=C(C2[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C(C=C3O)CO is a diastereoisomeric mixture of aloin A (barbaloin) and aloin B (isobarbaloin), which have similar properties. It is a bitter-tasting, yellow-brown colored compound found in the exudate of at least 68 Aloe species at levels of up to 6.6% of leaf dry weight (making between 3% and 35% of the total exudate), and in another 17 species at indeterminate levels. It is used as a stimulant-laxative, treating constipation by inducing bowel movements. It has a role as a laxative and an EC 1.14.18.1 (tyrosinase) inhibitor. It contains an aloin A and an aloin B.
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)S(=O)(=O)C C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)S(=O)(=O)C is N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-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 Oc1ccc(cc1O)[C@H]1Oc2cc3\C=C\c4cc(O)c(O)cc4-c4c(O)cc(oc4=O)[C@@H]4[C@H](Oc5cc(\C=C\c6cc(O)c(O)cc6-c6c(O)cc(oc6=O)[C@H]1c2c(=O)o3)oc(=O)c45)c1ccc(O)c(O)c1 Oc1ccc(cc1O)[C@H]1Oc2cc3\C=C\c4cc(O)c(O)cc4-c4c(O)cc(oc4=O)[C@@H]4[C@H](Oc5cc(\C=C\c6cc(O)c(O)cc6-c6c(O)cc(oc6=O)[C@H]1c2c(=O)o3)oc(=O)c45)c1ccc(O)c(O)c1 is A  macrocycle isolated from the fungus Phellinus igniarius and has been shown to exhibit antioxidant activity. It has the role of antioxidant . It has the role of fungal metabolite . It is also related to or classified as delta-lactone  .  It is also related to or classified as macrocycle  . It is also related to or classified as polyphenol , furopyran .
The molecule CC[C@H](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 a 2-methylbutanoyl-CoA(4-) obtained by deprotonation of phosphate and diphosphate functions of (S)-2-methylbutanoyl-CoA; major species at pH 7.3. It is a conjugate base of a (S)-2-methylbutanoyl-CoA.
The molecule CC(C)C#CC1=CC=C(C=C1)[C@H]2[C@@H]3CN(CC(=O)N3[C@H]2CO)C(=O)CC4=CC=CC=C4 CC(C)C#CC1=CC=C(C=C1)[C@H]2[C@@H]3CN(CC(=O)N3[C@H]2CO)C(=O)CC4=CC=CC=C4 is (6R,7S,8R)-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-4-(1-oxo-2-phenylethyl)-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCS(C)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)OC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCS(C)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)OC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O is A homodetic cyclic peptide isolated from a marine sponge Phakellia sp. It exhibits cytotoxic activity against murine P388 lymphocytic leukemia cells and moderate cancer cell growth inhibitory activity against a panel of human cancer cells. It has the role of metabolite . It is also related to or classified as sulfoxide  .  It is also related to or classified as carboxylic ester  . It is also related to or classified as macrocycle  . It is also related to or classified as homodetic cyclic peptide .
The molecule C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]\\2[C@@H](C=C3/C2=C\\C#C[C@@H]4[C@@](O4)(C#C3)[C@H]5COC(=O)O5)OC(=O)C6=C(C=CC7=C6C=C(C=C7C)OC)O)NC)O)O is a naphthoate ester obtained by formal condensation of the carboxy group of 2-hydroxy-7-methoxy-5-methyl-1-naphthoic acid with the 5-hydroxy group of (1aS,5R,6R,6aE,9aR)-5-hydroxy-1a-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2,3,8,9-tetradehydro-1a,5,6,9a-tetrahydrocyclopenta[5,6]cyclonona[1,2-b]oxiren-6-yl 2,6-dideoxy-2-(methylamino)-alpha-D-galactopyranoside. The chromophoric part of neocarzinostatin, it is tightly and non-covelently bound to a 113-membered apoprotein, which serves to protect it and release it to the target DNA. It has a role as an antineoplastic agent. It is a monosaccharide derivative, a cyclopentacyclononaoxirene, a D-galactosaminide, a dioxolane and a naphthoate ester.
The molecule CC1=CC(=O)CC([C@]1(/C=C/C(=C/C=O)/C)O)(C)C is an enal that is (+)-abscisic aldehyde in which the double bonds at position 2 and 4 have trans-configuration. It is an enal, an apo carotenoid sesquiterpenoid, a member of cyclohexenones and an enone.
The molecule CCCCC[C@@H]1CC[C@H](C)CCCCC(=O)N(C)[C@@H](Cc2ccc(OCCO)cc2)C(=O)O1 CCCCC[C@@H]1CC[C@H](C)CCCCC(=O)N(C)[C@@H](Cc2ccc(OCCO)cc2)C(=O)O1 is A macrolide antibiotic that is 4,10-dimethyl-1-oxa-4-azacyclotridecane-2,5-dione substituted by a 4-(2-hydroxyethoxy)benzyl group at position 3 and a pentyl group at position 13 (the 3S,10R,13S stereoisomer). It is isolated from Penicillium sp.PF1163 and exhibits antifungal activity against the pathogenic fungal strain Candida albicans TIMM1768. It has the role of antifungal agent . It has the role of Penicillium metabolite . It is also related to or classified as lactam  . It is also related to or classified as macrolide antibiotic , aromatic ether .
The molecule CC/C=C\\C/C=C\\C/C=C\\C=C\\C(C/C=C\\C/C=C\\CCC(=O)O)O is a hydroxydocosahexaenoic acid that consists of 4Z,7Z,11E,13Z,16Z,19Z-docosahexaenoic acid bearing an additional 10-hydroxy substituent. It has a role as a metabolite.
The molecule [O-][F+][O-] [O-][F+][O-] is A monovalent inorganic anion obtained by deprotonation of fluorous acid. It is also related to or classified as fluorine oxide , fluorine oxoanion , monovalent inorganic anion .
The molecule CCC[C@H](O)C[C@@H]1CC[C@H](C)CCCCC(=O)N(C)[C@@H](Cc2ccc(OCCO)cc2)C(=O)O1 CCC[C@H](O)C[C@@H]1CC[C@H](C)CCCCC(=O)N(C)[C@@H](Cc2ccc(OCCO)cc2)C(=O)O1 is A macrolide antibiotic that is 4,10-dimethyl-1-oxa-4-azacyclotridecane-2,5-dione substituted by a 4-(2-hydroxyethoxy)benzyl group at position 3 and a (2R)-2-hydroxypentyl group at position 13 (the 3S,10R,13S stereoisomer). It is isolated from Penicillium sp.PF1163 and exhibits antifungal activity against the  pathogenic fungal strain Candida albicans TIMM1768. It has the role of antifungal agent . It has the role of Penicillium metabolite . It is also related to or classified as lactam  .   It is also related to or classified as secondary alcohol  . It is also related to or classified as macrolide antibiotic , aromatic ether .
The molecule CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC(=O)O is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine in which the alkyl and the acyl groups at positions 1 and 2 are specified as hexadecyl and 8-carboxyoctanoyl respectively. It has a role as a PPARgamma agonist. It derives from a nonanedioic acid. It is a conjugate acid of a 1-O-hexadecyl-2-(8-carboxyoctanoyl)-sn-glycero-3-phosphocholine(1-).
The molecule CC(C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N is a racemate comprising equimolar amounts of (R)- and (S)-crizotinib. The active (R)-enantiomer acts as a kinase inhibitor and is used for the treatment of patients with locally advanced or metastatic non-small cell lung cancer. It has a role as an antineoplastic agent, a biomarker and an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor. It contains an ent-crizotinib and a crizotinib.
The molecule CC(C)(O)C(=O)Cc1cc2ccc(=O)oc2cc1O CC(C)(O)C(=O)Cc1cc2ccc(=O)oc2cc1O is Peucedanone. It has the role of metabolite . It is also related to or classified as hydroxycoumarin .
The molecule C1[C@H]([C@H]([C@@H](C(O1)(CO)O)O)O)O is a fructopyranose having D-configuration. It has a role as a sweetening agent. It is a fructopyranose, a D-fructose and a cyclic hemiketal.
The molecule C1[C@@H]2[C@@H]([C@@H](N2C(=O)CN1S(=O)(=O)CC3=CC=CC=C3)CO)C4=CC=C(C=C4)C#CC5=CC=CC=C5 C1[C@@H]2[C@@H]([C@@H](N2C(=O)CN1S(=O)(=O)CC3=CC=CC=C3)CO)C4=CC=C(C=C4)C#CC5=CC=CC=C5 is (6S,7S,8R)-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-4-(phenylmethyl)sulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C1CC1C#CC2=CC=C(C=C2)[C@H]3[C@@H]4CN(CC(=O)N4[C@@H]3CO)C(=O)C5=NC=CN=C5 C1CC1C#CC2=CC=C(C=C2)[C@H]3[C@@H]4CN(CC(=O)N4[C@@H]3CO)C(=O)C5=NC=CN=C5 is (6R,7S,8S)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CC(C)=CCc1cc(ccc1OS(O)(=O)=O)\C=C\C(O)=O CC(C)=CCc1cc(ccc1OS(O)(=O)=O)\C=C\C(O)=O is Petasiformin A. It has the role of metabolite . It is also related to or classified as cinnamic acids .
The molecule C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[Se](=O)(=O)O)O)O)N is the 5'-selenonooxyphosphate ester of adenosine. It has a role as a mouse metabolite. It contains a selenono group. It derives from an adenosine.
The molecule [H][C@]12C\C([C@@H](O)[C@]3([H])O[C@]13C[C@@H](O2)C(C)(C)O)=C\C=C(C)C [H][C@]12C\C([C@@H](O)[C@]3([H])O[C@]13C[C@@H](O2)C(C)(C)O)=C\C=C(C)C is Pestalotheol C. It has the role of metabolite . It is also related to or classified as oxacycle .
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O is a 3-hydroxy steroid that is 17beta-estradiol substituted by a beta-hydroxy group at position 16. It has a role as a human xenobiotic metabolite and an anti-inflammatory drug. It is a 16beta-hydroxy steroid, a 17beta-hydroxy steroid, a 3-hydroxy steroid and a member of phenols. It derives from a 17beta-estradiol. It derives from a hydride of an estrane.
The molecule CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C=CCCCC([O-])=O CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C=CCCCC([O-])=O is pentaanion of 2,3-didehydropimeloyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions. It is also related to or classified as acyl-CoA oxoanion .
The molecule CCCCCCCCCCCCC\C=C\C(=O)CC(O)COC(C)=O CCCCCCCCCCCCC\C=C\C(=O)CC(O)COC(C)=O is Persenone B. It has the role of metabolite . It is also related to or classified as long-chain fatty alcohol  .
The molecule C[C@]12CCCC([C@@H]1C[C@H](C(=C)[C@@H]2CC[C@](C)(C=C)O)OO)(C)C is a labdane diterpenoid that is labda-8(17),14-diene substituted by a (R)-hydroxy group at position 13 and an alpha-hydroperoxy group at position 7. Isolated from the aerial parts of Aster spathulifolius, it exhibits moderate cytotoxicity against human cancer cells. It has a role as a metabolite and an antineoplastic agent. It is a labdane diterpenoid, a peroxol and a tertiary alcohol.
The molecule CCCCC\C=C/C\C=C/CCCCC\C=C\C(=O)CC(O)COC(C)=O CCCCC\C=C/C\C=C/CCCCC\C=C\C(=O)CC(O)COC(C)=O is Persenone A. It has the role of metabolite . It is also related to or classified as long-chain fatty alcohol  .
The molecule C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)NC3=CC4=CC=CC=C4C=C3)N is an N-(2-naphthyl)carboxamide obtained by formal condensation of the carboxy group of L-alanyl-L-phenylalanyl-L-proline with the amino group of 2-naphthylamine. It has a role as a chromogenic compound. It is a N-(2-naphthyl)carboxamide and a tripeptide.
The molecule C[C@@H]1CCC[C@@H](CCC(CC1)C(C)C)C is the fundamental parent of a class of sesquiterpenes with a structure based upon a cyclodecane ring substituted with an isopropyl and two methyl groups. It is a terpenoid fundamental parent and a sesquiterpene.
The molecule [H][C@@]12C[C@]34N(C)[C@@H](CC(C)=O)C[C@]3(CC(=O)[C@H](OC)[C@]4(OC)O1)c1cc3OCOc3cc21 [H][C@@]12C[C@]34N(C)[C@@H](CC(C)=O)C[C@]3(CC(=O)[C@H](OC)[C@]4(OC)O1)c1cc3OCOc3cc21 is Periglaucine D. It has the role of metabolite . It is also related to or classified as isoquinoline alkaloid .
The molecule C1CN(CCC1C2=CN(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)F)CCN5CCNC5=O is a phenylindole that is 1H-indole which is substituted on the nitrogen by a p-chlorophenyl group, at position 5 by chlorine, and at position 3 by a piperidin-4-yl group, which is itself substituted on the nitrogen by a 2-(2-oxoimidazolidin-1-yl)ethyl group. It has a role as a serotonergic antagonist, an alpha-adrenergic antagonist, a H1-receptor antagonist and a second generation antipsychotic. It is a phenylindole, an organofluorine compound, an organochlorine compound, a heteroarylpiperidine and an imidazolidinone.
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(OC)C(O)=C3C(OC(=C(O)C3=O)C4=CC(O)=C(O)C=C4)=C2)CO O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(OC)C(O)=C3C(OC(=C(O)C3=O)C4=CC(O)=C(O)C=C4)=C2)CO is patulitrin. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@H]1CN(C)C(=O)NC3=CC=C(C=C3)C(F)(F)F)[C@@H](C)CO C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@H]1CN(C)C(=O)NC3=CC=C(C=C3)C(F)(F)F)[C@@H](C)CO is 1-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .