anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O is UDP-N-acetyl-beta-D-mannosaminouronic acid. It is a conjugate acid of UDP-N-acetyl-beta-D-mannosaminouronate(3-) . It is also related to or classified as UDP-N-acetyl-D-mannosaminouronic acid  .
The molecule OC[C@H](O)[C@@H](O)[C@H](O)C([O-])=O OC[C@H](O)[C@@H](O)[C@H](O)C([O-])=O is L-xylonate. It has the role of human metabolite . It is also related to or classified as xylonate  .
The molecule CCCCCCCCCCCCCCCC/C=C\\OC[C@H](COP(=O)(O)OCCNC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\\CCCCCCCC is a glycerophosphoethanolamine obtained by formal condensation of the carboxy group of hexadecanoic acid with the amino group of 1-[(1Z)-octadecenoyl]-2-oleoyl-sn-glycero-3-phosphoethanolamine. It is a conjugate acid of a N-hexadecanoyl-1-[(1Z)-octadecenoyl]-2-oleoyl-sn-glycero-3-phosphoethanolamine(1-).
The molecule [H]OB([H])OB([H])O[H] [H]OB([H])OB([H])O[H] is diboronic acid. It has the role of inorganic acid . It is also related to or classified as boron oxoacid .
The molecule CN1C[C@@H]([C@@H](C(=O)NC2=CC=CC=C2F)C1=O)C1=CC=CC(=C1)C(F)(F)F CN1C[C@@H]([C@@H](C(=O)NC2=CC=CC=C2F)C1=O)C1=CC=CC(=C1)C(F)(F)F is an N-alkylpyrrolidine that is pyrrolidine substituted by methyl, oxo, (2-fluorophenyl)aminocarbonyl, and 3-(trifluoromethyl)phenyl groups at positions 1, 2, 3, and 4, respectively. It is a herbicide developed by FMC Corporation for the control of grass weeds in rice, as well as key broadleaf weeds and sedges. It has the role of herbicide . It has the role of pyrimidine synthesis inhibitor . It has the role of EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor . It is also related to or classified as anilide  . It is also related to or classified as secondary carboxamide  .    It is also related to or classified as monofluorobenzenes  . It is also related to or classified as pyrrolidinecarboxamide , N-alkylpyrrolidine , (trifluoromethyl)benzenes .
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COC(C)=O CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COC(C)=O is an acetate ester obtained by the formal condensation of acetic acid with (E,E,E)-geranylgeraniol. It has the role of pheromone . It has the role of antibacterial agent . Its functional parent is (E,E,E)-geranylgeraniol . It is also related to or classified as acetate ester  .
The molecule C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](C)N)O is a tetrapeptide composed of L-alanine, L-phenylalanine, L-threonine, and L-serine joined in sequence by peptide linkages. It has a role as a metabolite. It derives from a L-alanine, a L-phenylalanine, a L-threonine and a L-serine.
The molecule C(=C/CCCCCCCCCCCCC)\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS([O-])(=O)=O)O C(=C/CCCCCCCCCCCCC)\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS([O-])(=O)=O)O is A galactosylceramide sulfate(1-) that is the conjugate base of 1-(3-O-sulfo-beta-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine obtained by deprotonation of the sulfate group; major species at pH 7.3. It is also related to or classified as beta-D-galactosylceramide sulfate(1-)  .
The molecule CS(=O)(=O)N1[C@H]([C@H](C12CN(C2)CC3=C(C=CC(=C3)F)F)C4=CC=CC=C4)CO CS(=O)(=O)N1[C@H]([C@H](C12CN(C2)CC3=C(C=CC(=C3)F)F)C4=CC=CC=C4)CO is [(2R,3R)-6-[(2,5-difluorophenyl)methyl]-1-methylsulfonyl-3-phenyl-1,6-diazaspiro[3.3]heptan-2-yl]methanol. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C1(=CC2=C3C(=C1)NC(=C3CCNC2=O)C4=CC=C(C=C4)C[NH2+]C)F C1(=CC2=C3C(=C1)NC(=C3CCNC2=O)C4=CC=C(C=C4)C[NH2+]C)F is an organic cation obtained by protonation of the secondary amino function of rucaparib. It is a conjugate acid of rucaparib . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F is 1-(3,5-dimethyl-4-isoxazolyl)-3-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC=C(C=C1)C(=NOC(=O)C2=CC=CC3=CC=CC=C32)C4=CC=CC=N4 C1=CC=C(C=C1)C(=NOC(=O)C2=CC=CC3=CC=CC=C32)C4=CC=CC=N4 is 1-naphthalenecarboxylic acid [[phenyl(2-pyridinyl)methylidene]amino] ester. It is also related to or classified as naphthalenes , carbonyl compound .
The molecule CCCCCCCCCCCC(=O)CC1=CC(=CC(=O)O1)O is a 2-pyranone in which the hydrogens at positions 4 and 6 of 2H-pyran-2-one are replaced by hydroxy and 2-oxotridecyl groups respectively. It is a member of 2-pyranones, a ketone and a heteroaryl hydroxy compound.
The molecule CCC(=O)N1C[C@H]2[C@@H]([C@@H](N2C(=O)C1)CO)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N CCC(=O)N1C[C@H]2[C@@H]([C@@H](N2C(=O)C1)CO)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N is 4-[4-[(6R,7S,8R)-8-(hydroxymethyl)-2-oxo-4-(1-oxopropyl)-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile. It is also related to or classified as nitrile  . It is also related to or classified as biphenyls .
The molecule Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](COP([O-])([O-])=O)O1 Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](COP([O-])([O-])=O)O1 is A 2'-deoxyribonucleoside 5'-monophosphate(2-) obtained by deprotonation of the phosphate OH groups of 2'-deoxyadenosine 5'-monophosphate (dAMP). It has the role of human metabolite . It has the role of fundamental metabolite . It is also related to or classified as purine 2'-deoxyribonucleoside 5'-phosphate(2-)  . It is also related to or classified as 2'-deoxynucleoside 5'-monophosphate(2-)  .
The molecule COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OCCCCCCCCCCCCCCCC(=O)O is a carboxylic ester resulting from the formal condensation of the carboxy group of trans-sinapic acid with the hydroxy group of 16-hydroxyhexadecanoic acid. It is a monocarboxylic acid and a carboxylic ester. It derives from a trans-sinapic acid. It is a conjugate acid of a 16-sinapoyloxypalmitate.
The molecule S(O)(=O)(=O)CCN(C(=O)CC[C@H]([C@@]1([C@@]2([C@]([C@]3([C@@]([C@@]4([C@]([C@@H](O)C3)(C[C@H](O)CC4)[H])C)(CC2)[H])[H])(CC1)[H])C)[H])C)[H] S(O)(=O)(=O)CCN(C(=O)CC[C@H]([C@@]1([C@@]2([C@]([C@]3([C@@]([C@@]4([C@]([C@@H](O)C3)(C[C@H](O)CC4)[H])C)(CC2)[H])[H])(CC1)[H])C)[H])C)[H] is taurohyodeoxycholic acid. It is a conjugate acid of taurohyodeoxycholate(1-) . It is also related to or classified as bile acid taurine conjugate .
The molecule C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C is N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-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@]12CC[C@]3([C@@H](CC[C@@]4([C@]3([C@]1([C@](C(CCC2)=C)([H])C4)[H])[H])[H])C)C C[C@]12CC[C@]3([C@@H](CC[C@@]4([C@]3([C@]1([C@](C(CCC2)=C)([H])C4)[H])[H])[H])C)C is A diterpene that is produced by a diterpene synthase from Cephalotaxus sinensis. It has the role of plant metabolite .  It is also related to or classified as diterpene  . It is also related to or classified as carbotetracyclic compound , polycyclic olefin .
The molecule CNCC1=CC=C(C=C1)C1=C2CCNC(=O)C3=C2C(N1)=CC(F)=C3 CNCC1=CC=C(C=C1)C1=C2CCNC(=O)C3=C2C(N1)=CC(F)=C3 is A member of the class of azepinoindoles that is 1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one carrying additional 4-[(methylamino)methyl]phenyl and fluoro substituents at positions 2 and 8 respectively. It is an inhibitor of poly (ADP-ribose) polymerase and is used (as the camsylate salt) as monotherapy for advanced ovarian cancer and deleterious germline or somatic BRCA mutation. It has the role of antineoplastic agent . It has the role of EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor .   It is also related to or classified as organofluorine compound  . It is also related to or classified as azepinoindole , caprolactams , secondary amino compound .
The molecule C1=CC(=CC(=C1)F)C(=O)N[C@@H]2C=C[C@@H](O[C@H]2CO)CC(=O)NC3=NC=CS3 C1=CC(=CC(=C1)F)C(=O)N[C@@H]2C=C[C@@H](O[C@H]2CO)CC(=O)NC3=NC=CS3 is 3-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule CC(CC/C=C(/C)\\CC/C=C(\\C)/CC/C=C(\\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)OC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[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[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)NC(=O)C)O)NC(=O)C is a dolichyl diphosphooligosaccharide in which the oligosaccharide moiety is the Man9Glc2GlcNAc2 branched tridecasaccharide alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc. It is a conjugate acid of an alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-).
The molecule [H]C(CCC(C)=C([H])CCC(C)=C([H])CCC(C)=C([H])CCC(C)=C([H])CCC(C)=C([H])CCC(C)=C([H])CCC(C)=C([H])CCC(C)=C([H])COP(O)(=O)OP(O)(O)=O)=C(C)CCC=C(C)C [H]C(CCC(C)=C([H])CCC(C)=C([H])CCC(C)=C([H])CCC(C)=C([H])CCC(C)=C([H])CCC(C)=C([H])CCC(C)=C([H])CCC(C)=C([H])COP(O)(=O)OP(O)(O)=O)=C(C)CCC=C(C)C is A polyprenol diphosphate compound having ten prenyl units with undefined stereochemistry about the double bonds. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as polyprenyl diphosphate .
The molecule CCCCC/C=C\\C[C@@H](/C=C/C=C\\C/C=C\\CCCC(=O)O)O is a HETE having a (12S)-hydroxy group and (5Z)-, (8Z)-, (10E)- and (14Z)-double bonds. It has a role as an angiogenesis inducing agent and a human metabolite. It is a HETE and a (5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoic acid. It is a conjugate acid of a 12(S)-HETE(1-). It is an enantiomer of a 12(R)-HETE.
The molecule S(O)(=O)(=O)CCNC(=O)CC[C@H]([C@@]1([C@@]2([C@]([C@]3([C@@]([C@@]4([C@]([C@H](O)[C@H]3O)(C[C@H](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@]([C@H](O)[C@H]3O)(C[C@H](O)CC4)[H])C)(CC2)[H])[H])(CC1)[H])C)[H])C is tauro-alpha-muricholic acid. It is a conjugate acid of tauro-alpha-muricholate(1-) .  It is also related to or classified as 3alpha-hydroxy steroid  . It is also related to or classified as 7alpha-hydroxy steroid  . It is also related to or classified as bile acid taurine conjugate , 6beta-hydroxy steroid .
The molecule CN1C=NC2=C1C(=O)N(C(=O)N2)C is a dimethylxanthine having the two methyl groups located at positions 1 and 7. It is a metabolite of caffeine and theobromine in animals. It has a role as a central nervous system stimulant, a human xenobiotic metabolite, a human blood serum metabolite and a mouse metabolite.
The molecule Cl[Pt--](Cl)(Cl)(Cl)(Cl)Cl Cl[Pt--](Cl)(Cl)(Cl)(Cl)Cl is hexachloroplatinate(2-). It is also related to or classified as platinum coordination entity , perchlorometallate anion .
The molecule Oc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O)CC1CC1 Oc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O)CC1CC1 is an  organic heteropentacyclic compound that is naloxone substituted in which the allyl group attached to the nitrogen is replaced by a cyclopropylmethyl group. A mu-opioid receptor antagonist, it is used to treat alcohol dependence. It has the role of central nervous system depressant . It has the role of xenobiotic . It has the role of mu-opioid receptor antagonist . It has the role of environmental contaminant . It has the role of antidote to opioid poisoning . It is also related to or classified as organic heteropentacyclic compound , cyclopropanes , morphinane-like compound .
The molecule COC1=C([O-])C(=O)C(C)=C(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)CCC=C(C)C)C1=O COC1=C([O-])C(=O)C(C)=C(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)CCC=C(C)C)C1=O is conjugate base of 3-demethylubiquinone-9. It is also related to or classified as 3-demethylubiquinone(1-) , organic anion .
The molecule O1[C@H]2[C@H]1C(C(=O)[C@H](O)[C@@H](OC(=O)C3=CC=CC=C3)C([C@H](OC(=O)C4=CC=CC=C4)[C@@]5([C@](OC(=O)C)([C@@H](O)[C@@](O)([C@@H]5OC(=O)C)C)C(=O)[C@H]2C)[H])=C)(C)C O1[C@H]2[C@H]1C(C(=O)[C@H](O)[C@@H](OC(=O)C3=CC=CC=C3)C([C@H](OC(=O)C4=CC=CC=C4)[C@@]5([C@](OC(=O)C)([C@@H](O)[C@@](O)([C@@H]5OC(=O)C)C)C(=O)[C@H]2C)[H])=C)(C)C is kansuinin B. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)C is a macrolide antibiotic that is the 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexoside of 10-deoxymethynolide. It has a role as a metabolite. It is a glycoside, a macrolide antibiotic and a monosaccharide derivative. It derives from a 10-deoxymethynolide. It is a conjugate base of a 10-deoxymethymycin(1+).
The molecule C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3CCCCC3 C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3CCCCC3 is 1-[(3R,9S,10S)-9-[[cyclohexylmethyl(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]-3-propan-2-ylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCCCCCCN1CC(OC(C1)C)C is a member of the class of morpholines that is 2,6-dimethylmorpholine in which the hydrogen attached to the nitrogen is replaced by a tetradecyl group. The configuration at positions 2 and 6 is unknown or unspecified. It has a role as an antifungal agrochemical. It is a member of morpholines and a tertiary amino compound.
The molecule S(N[C@H](C1=C(OC)C=CC=C1)C(=O)N(CC=2SC=CC2)CC=3OC=CC3)(C4=CC5=C(NC(=O)C=C5)C=C4)(=O)=O S(N[C@H](C1=C(OC)C=CC=C1)C(=O)N(CC=2SC=CC2)CC=3OC=CC3)(C4=CC5=C(NC(=O)C=C5)C=C4)(=O)=O is A sulfonamide resulting from the formal condensation of the sulfonic acid group of 2-oxo-1,2-dihydroquinoline-6-sulfonic acid with the primary amino group of (2R)-2-amino-N-(2-furylmethyl)-2-(2-methoxyphenyl)-N-(2-thienylmethyl)acetamide. OSMI-1 is a cell permeable inhibitor of O-linked beta-N-acetylglucosamine transferase (O-GlcNAc transferase, OGT). It has the role of EC 2.4.1.255 (protein O-GlcNAc transferase) inhibitor . It has the role of EC 2.* (transferase) inhibitor . It is also related to or classified as tertiary carboxamide  .    It is also related to or classified as sulfonamide  . It is also related to or classified as furans , quinolines , thiophenes , aromatic ether .
The molecule CS(=O)(=O)N1C[C@H]2[C@H]([C@H](N2C(=O)C1)CO)C3=CC=C(C=C3)C#CC4=CC=C(C=C4)F CS(=O)(=O)N1C[C@H]2[C@H]([C@H](N2C(=O)C1)CO)C3=CC=C(C=C3)C#CC4=CC=C(C=C4)F is (6R,7R,8S)-7-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C1CCC(CC1)NC(=O)C(C2=CC=C(C=C2)F)N(C3=CC=C(C=C3)F)C(=O)CC4=CSC=C4 C1CCC(CC1)NC(=O)C(C2=CC=C(C=C2)F)N(C3=CC=C(C=C3)F)C(=O)CC4=CSC=C4 is N-cyclohexyl-2-(4-fluoro-N-[1-oxo-2-(3-thiophenyl)ethyl]anilino)-2-(4-fluorophenyl)acetamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C1=2C[C@@H]3[C@@]4(CCC([C@H]5[C@@]4(C1=C(C(=CC2)O)O5)CC[NH+]3CC6CC6)=O)O C1=2C[C@@H]3[C@@]4(CCC([C@H]5[C@@]4(C1=C(C(=CC2)O)O5)CC[NH+]3CC6CC6)=O)O is an organic cation that is conjugate acid of naltrexone resulting from the protonation of the amino group; Major species at pH 7.3. It is a conjugate acid of naltrexone . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)N(C[C@H]1OC)C)C)C(=O)NC(C)C C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)N(C[C@H]1OC)C)C)C(=O)NC(C)C is (5S,6S,9S)-14-[(4-chlorophenyl)sulfonylamino]-5-methoxy-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H]1CN[C@H](COC2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)C(=O)N(C[C@H]1OC)C)C C[C@H]1CN[C@H](COC2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)C(=O)N(C[C@H]1OC)C)C is N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCC#C is an alkyne that is decane carrying a triple bond at position 1. It has a role as a metabolite. It is an alkyne and a terminal acetylenic compound.
The molecule O([C@H]([C@@]1([C@@]2([C@@](CC1)(/C(/CCC2)=C/C=C\3/C[C@@H](OC(=O)CCCC(O)=O)C[C@H](O)C3=C)[H])C)[H])C)CCC(O)(C)C O([C@H]([C@@]1([C@@]2([C@@](CC1)(/C(/CCC2)=C/C=C\3/C[C@@H](OC(=O)CCCC(O)=O)C[C@H](O)C3=C)[H])C)[H])C)CCC(O)(C)C is 1,25-dihydroxy-22-oxavitamin D3 3-hemiglutarate/ 1,25-dihydroxy-22-oxacholecalciferol 3-hemiglutarate. It is also related to or classified as vitamin D .
The molecule CC1=CC(C)=C(OS(O)(=O)=O)C=C1 CC1=CC(C)=C(OS(O)(=O)=O)C=C1 is an aryl sulfate that is 2,4-xylenol in which the phenolic hydrogen has been replaced by a sulfo group. Its functional parent is 2,4-xylenol . It is also related to or classified as aryl sulfate .
The molecule CC1=C(C=CC(=C1)C(=O)O)O is a monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methyl group at position 3. It has a role as a human blood serum metabolite. It is a member of toluenes and a monohydroxybenzoic acid.
The molecule CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CN3C(CC4=CC=CC=C43)C CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CN3C(CC4=CC=CC=C43)C is N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-ethyl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [H][Al-]([H])[H] [H][Al-]([H])[H] is trihydridoaluminate(.1-). It is also related to or classified as aluminium hydride , inorganic radical anion .
The molecule COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O is A semisynthetic opioid of formula C18H21NO4 that is derived from thebaine.  It is a moderately potent opioid analgesic, generally used for relief of moderate to severe pain. It has the role of opioid analgesic . It has the role of antitussive . It has the role of mu-opioid receptor agonist . Its functional parent is thebaine . It is also related to or classified as organic heteropentacyclic compound , semisynthetic derivative .
The molecule CC1=CC(=NO1)NC(=O)CSC2=NC(=CC3=CC=C(C=C3)OC)C(=O)N2C4=CC=CC=C4 CC1=CC(=NO1)NC(=O)CSC2=NC(=CC3=CC=C(C=C3)OC)C(=O)N2C4=CC=CC=C4 is 2-[[4-[(4-methoxyphenyl)methylidene]-5-oxo-1-phenyl-2-imidazolyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C\C=C/C=C/C(O)=O C\C=C/C=C/C(O)=O is one of four possible geometric isomers of sorbic acid, having trans- and cis-double bonds at positions 2 and 4 respectively. It is also related to or classified as sorbic acid  .
The molecule CO[C@H]1[C@H](C)O[C@@H](Oc2cc3cc4C(=O)[C@@]5(O)[C@H](O)C(OC)=CC(=O)[C@@]5(OC)C(=O)c4c(O)c3c(C)c2C(=O)OC)[C@H](OC)[C@@H]1OC CO[C@H]1[C@H](C)O[C@@H](Oc2cc3cc4C(=O)[C@@]5(O)[C@H](O)C(OC)=CC(=O)[C@@]5(OC)C(=O)c4c(O)c3c(C)c2C(=O)OC)[C@H](OC)[C@@H]1OC is A member of the class of tetracenomycins that is 8-demethyltetracenomycin C in which the hydroxyl hydrogens at position 8 and 10 a are replaced by a 2,3,4-tri-O-methyl-alpha-L-rhamnosyl and methyl groups respectively. It has the role of antimicrobial agent . It has the role of bacterial metabolite . Its functional parent is tetracenomycin C . It is also related to or classified as tertiary alpha-hydroxy ketone  . It is also related to or classified as methyl ester  . It is also related to or classified as alpha-L-rhamnoside  . It is also related to or classified as phenols  . It is also related to or classified as enol ether  .  It is also related to or classified as enone  .  It is also related to or classified as carboxylic ester  . It is also related to or classified as tetracenomycin , monosaccharide derivative .
The molecule C1=CC(=CC=C1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O is a ribose monophosphate that is D-ribofuranose 5-phosphate in which the anomeric OH group is replaced by a 4-hydroxy phenyl group (the beta-D-anomer). It has a role as a bacterial metabolite. It is a C-glycosyl compound and a ribose monophosphate. It is a conjugate acid of a 4-(5-O-phosphonato-beta-D-ribofuranosyl)phenol(2-).
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\CC\C(C)=C\COP([O-])(=O)OP([O-])([O-])=O 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\CC\C(C)=C\COP([O-])(=O)OP([O-])([O-])=O is an orpanophosphate oxoanion that is the trianion of ditrans,polycis-decaprenyl diphosphate. It is also related to or classified as organophosphate oxoanion .
The molecule C1=NC2=NC=NC(=C2N1)C(=O)NCCCCCC(=O)O is a purine derivative that consists of 6-aminohexanoic acid having a purin-6-oyl group attached to the amino function via an amide bond. It is a member of purines and a monocarboxylic acid amide. It derives from a 6-aminohexanoic acid.
The molecule COC(=O)C1NC(=O)C2=C3C(NC4=CC=CC=C34)=C3NC4=CC=CC=C4C3=C12 COC(=O)C1NC(=O)C2=C3C(NC4=CC=CC=C34)=C3NC4=CC=CC=C4C3=C12 is an organic heterohexacyclic compound that is 6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole in which the hydrogens at positions 5 and 7 are substituted by a methoxycarbonyl and oxo groups, respectively. It is synthesized by a gene cluster found in environmental DNA and exhibits cytotoxic activity against human HCT116 cancer cells and Staphylococcus aureus. It has the role of toxin . It has the role of antibacterial agent . It has the role of antineoplastic agent . Its functional parent is erdasporine B . It is also related to or classified as methyl ester  . It is also related to or classified as indolocarbazole alkaloid , secondary amino compound , organic heterohexacyclic compound .
The molecule CCC(=O)N1C[C@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C)OC[C@H]1C)C)OC)C CCC(=O)N1C[C@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C)OC[C@H]1C)C)OC)C is N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1-oxopropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .