anonymous041/ChEBI-Augmented huggingface dataset:
The molecule Cn1c2[nH]c(=O)n(C)c2c(=O)[nH]c1=O Cn1c2[nH]c(=O)n(C)c2c(=O)[nH]c1=O is an oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trione substituted by methyl groups at N-3 and N-7. It has the role of metabolite . It has the role of mouse metabolite . Its functional parent is 7,9-dihydro-1H-purine-2,6,8(3H)-trione . It is a conjugate acid of 3,7-dimethylurate anion . It is also related to or classified as oxopurine .
The molecule C[N+](C)(C)CC(=O)CC(=O)[O-] is an ammonium betaine that is the conjugate base of 3-dehydrocarnitinium; major species at pH 7.3. It has a role as a human metabolite. It is a conjugate base of a 3-dehydrocarnitinium.
The molecule C1COCCOCCOCCOCCO1 C1COCCOCCOCCOCCO1 is A saturated organic heteromonocyclic parent that is cyclopentadecane in which the carbon atoms at positions 1, 4, 7, 10 and 13 have been replaced by oxygen atoms to give a crown ether. It is also related to or classified as saturated organic heteromonocyclic parent , crown ether .
The molecule [H][C@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])CC2)[C@H](C)CC[C@@H](C)C(C)C [H][C@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])CC2)[C@H](C)CC[C@@H](C)C(C)C is 5alpha-campestane. It is also related to or classified as campestane  . It is also related to or classified as C28-steroid  .
The molecule O1C([C@@H](O)C(O)C(O)[C@@H]1OC2=CC(=CC(O)=C2OC)C=3OC=4C(C(=O)C3OC)=C(O)C(OC)=C(O)C4OC)CO O1C([C@@H](O)C(O)C(O)[C@@H]1OC2=CC(=CC(O)=C2OC)C=3OC=4C(C(=O)C3OC)=C(O)C(OC)=C(O)C4OC)CO is 5,7,3',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone 3'-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule Cn1c2c([nH]c1=O)[nH]c(=O)n(C)c2=O Cn1c2c([nH]c1=O)[nH]c(=O)n(C)c2=O is an oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trione substituted by methyl groups at N-1 and N-7. It is a metabolite of caffeine and is often found in human urine samples. It has the role of mouse metabolite . It has the role of human xenobiotic metabolite . Its functional parent is 7,9-dihydro-1H-purine-2,6,8(3H)-trione . It is a conjugate acid of 1,7-dimethylurate anion . It is also related to or classified as oxopurine .
The molecule CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])O is an anionic phospholipid obtained by deprotonation of the phosphate OH groups of 1-lauroyl-sn-glycerol 3-phosphate. It is an anionic phospholipid and a 1-acyl-sn-glycerol 3-phosphate(2-). It is a conjugate base of a 1-lauroyl-sn-glycerol 3-phosphate.
The molecule [C@H](OC(CCCCCCC)=O)(C[N+](C([2H])([2H])[2H])(C)C)CC(=O)[O-] [C@H](OC(CCCCCCC)=O)(C[N+](C([2H])([2H])[2H])(C)C)CC(=O)[O-] is octanoyl-L-carnitine-d3. It is also related to or classified as O-octanoyl-L-carnitine  . It is also related to or classified as deuterated compound .
The molecule [N-][H] [N-][H] is hydridonitrate(.1-). It is also related to or classified as nitrogen hydride , inorganic radical anion .
The molecule Cn1c2[nH]c(=O)[nH]c2c(=O)n(C)c1=O Cn1c2[nH]c(=O)[nH]c2c(=O)n(C)c1=O is an oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trionesubstituted by methyl groups at N-1 and N-3. It has the role of metabolite . Its functional parent is 7,9-dihydro-1H-purine-2,6,8(3H)-trione . It is a conjugate acid of 1,3-dimethylurate anion . It is also related to or classified as oxopurine .
The molecule C/C=C/COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O is an organic triphosphate formed by condensation between the gamma-phospho group of uridine 5'-triphosphate and crotyl alcohol. It derives from an UTP and a crotyl alcohol.
The molecule [H]C(=C(NC)N(CC)Cc1ccc(Cl)nc1)[N+]([O-])=O [H]C(=C(NC)N(CC)Cc1ccc(Cl)nc1)[N+]([O-])=O is A C-nitro compound consisting of 2-nitroethene-1,1-diamine where one of the nitrogens bears ethyl and (6-chloro-3-pyridinyl)methyl while the other nitrogen carries a methyl group. It has the role of neonicotinoid insectide . Its functional parent is 2-chloropyridine .  It is also related to or classified as monochloropyridine  . It is also related to or classified as C-nitro compound .
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-38528. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1CCC(=CC1)C2=CC=C(C=C2)[C@@H]3[C@H](N[C@@H]3CO)CNC(=O)C4=CC(=CC=C4)F C1CCC(=CC1)C2=CC=C(C=C2)[C@@H]3[C@H](N[C@@H]3CO)CNC(=O)C4=CC(=CC=C4)F is N-[[(2S,3R,4S)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-3-fluorobenzamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule Cn1c(=O)[nH]c2[nH]c(=O)[nH]c2c1=O Cn1c(=O)[nH]c2[nH]c(=O)[nH]c2c1=O is an oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trione substituted by a methyl group at N-1. It is one of the metabolites of caffeine found in human urine. It has the role of mouse metabolite . It has the role of human xenobiotic metabolite . Its functional parent is 7,9-dihydro-1H-purine-2,6,8(3H)-trione . It is a conjugate acid of 1-methylurate anion . It is also related to or classified as oxopurine .
The molecule [H+].C1=CC(=C(C(=C1)Cl)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)Cl is the cation resulting from the protonation of the imidazole group of butaconazole. It is a conjugate acid of a butoconazole.
The molecule Cl[O-].[Ca+2].Cl[O-] Cl[O-].[Ca+2].Cl[O-] is Calcium hypochlorite. It has the role of bleaching agent . It is also related to or classified as inorganic calcium salt , calcium salt .
The molecule NC12CC3CC(CC(C3)C1)C2 NC12CC3CC(CC(C3)C1)C2 is A member of the class of  adamantanes that is used as an antiviral and  antiparkinson drug. It has the role of analgesic . It has the role of non-narcotic analgesic . It has the role of antiviral drug . It has the role of antiparkinson drug . It has the role of dopaminergic agent . It has the role of NMDA receptor antagonist . It is also related to or classified as primary aliphatic amine  . It is also related to or classified as adamantanes .
The molecule CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)COP(=O)([O-])OP(=O)([O-])[O-] is a 2',3'-dideoxyribonucleoside diphosphate oxoanion obtained from 2',3'-dideoxythymidine diphosphate by deprotonation of the diphosphate OH groups; major species at pH 7.3.
The molecule [H][C@]12C[C@H](O)[C@@H](O)C=C1[C@H]1C[N@@]2Cc2cc3OCOc3cc12 [H][C@]12C[C@H](O)[C@@H](O)C=C1[C@H]1C[N@@]2Cc2cc3OCOc3cc12 is pancracine. It is also related to or classified as isoquinoline alkaloid , isoquinoline alkaloid fundamental parent .
The molecule Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O is an NDP-alpha-D-glucose(2-) obtained by deprotonation of the diphosphate OH groups of GDP-D-glucose; major species at pH 7.3. It is also related to or classified as NDP-alpha-D-glucose(2-)  .
The molecule C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O is the pyranose form of D-quinovose with an alpha-configuration at the anomeric position . It is also related to or classified as D-quinovose  .
The molecule N([C@H](C(N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](C(O)=O)CC(C)C)=O)CCCCN)=O)C(O)C)=O)CC=1C=CC(=CC1)OS(=O)(=O)O)=O)C(O)C)CCC(O)=O)=O)CO)C([C@@H](N)CC(C)C)=O N([C@H](C(N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](C(O)=O)CC(C)C)=O)CCCCN)=O)C(O)C)=O)CC=1C=CC(=CC1)OS(=O)(=O)O)=O)C(O)C)CCC(O)=O)=O)CO)C([C@@H](N)CC(C)C)=O is an eight-membered oligopeptide comprising L-leucine, L-serine, L-glutamic acid, L-threonine, O-sulfo-L-tyrosine, L-threonine, L-lysine and D-leucine residues coupled in sequence. It is also related to or classified as oligopeptide  .
The molecule CC(=O)N[C@@H](CCP(=O)(C)O)C(=O)O is an N-acetyl-L-amino acid derived from L-phosphinothricin. It is a N-acetylphosphinothricin and a N-acetyl-L-amino acid. It is a conjugate acid of a N-acetyl-L-phosphinothricin(2-).
The molecule ClC1=C(O)C=C2OC=3C(C2=C1C)=C(C(Cl)=C(O)C3)C ClC1=C(O)C=C2OC=3C(C2=C1C)=C(C(Cl)=C(O)C3)C is 2,8-dichloro-3,7-dihydroxy-1,9-dimethyldibenzofuran. It is also related to or classified as organochlorine compound  . It is also related to or classified as dibenzofurans .
The molecule O([C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1O)CO)[C@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C O([C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1O)CO)[C@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C is A glycosylglucose consisting of an beta-L-fucopyranose residue and a beta-D-glucopyranose residue joined in sequence by a (1->2) glycosidic bond. Its functional parent is beta-D-glucose . Its functional parent is beta-L-fucose . It is also related to or classified as glycosylglucose .
The molecule O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1C(=O)O)O)O)O)O[C@H]2[C@@H]([C@H]([C@H](O[C@@H]2CO)O[C@H]3[C@@H]([C@H]([C@@H](O[C@H]3C(O)=O)O[C@H]4[C@@H]([C@H]([C@H](O[C@@H]4CO)O[C@H]5[C@@H]([C@H]([C@@H](O[C@H]5C(O)=O)O[C@H]6[C@@H]([C@H]([C@H](O[C@@H]6CO)O[C@H]7[C@@H]([C@H]([C@@H](O[C@H]7C(O)=O)O[C@H]8[C@@H]([C@H](O[C@@H]8COS(O)(=O)=O)CO)O)O)O)NS(O)(=O)=O)O)OS(O)(=O)=O)O)NS(O)(=O)=O)O)OS(O)(=O)=O)O)NS(O)(=O)=O)O O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1C(=O)O)O)O)O)O[C@H]2[C@@H]([C@H]([C@H](O[C@@H]2CO)O[C@H]3[C@@H]([C@H]([C@@H](O[C@H]3C(O)=O)O[C@H]4[C@@H]([C@H]([C@H](O[C@@H]4CO)O[C@H]5[C@@H]([C@H]([C@@H](O[C@H]5C(O)=O)O[C@H]6[C@@H]([C@H]([C@H](O[C@@H]6CO)O[C@H]7[C@@H]([C@H]([C@@H](O[C@H]7C(O)=O)O[C@H]8[C@@H]([C@H](O[C@@H]8COS(O)(=O)=O)CO)O)O)O)NS(O)(=O)=O)O)OS(O)(=O)=O)O)NS(O)(=O)=O)O)OS(O)(=O)=O)O)NS(O)(=O)=O)O is A heparan sulfate octasaccharide with sequence: GlcA-GlcNSO3-IdoA(2-OSO3)-GlcNSO3-IdoA(2-OSO3)-GlcNSO3-IdoA-aManR(6-OSO3) (aManR = 2,5-anhydro-D-mannitol). It is also related to or classified as heparan sulfate octasaccharide , oligosaccharide sulfate , amino octasaccharide .
The molecule CCCCCCCCCCCCC(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)O is a hydroxy fatty-acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxytetradecanoic acid. It is a hydroxy fatty acyl-CoA and a long-chain fatty acyl-CoA. It is a conjugate acid of a 2-hydroxytetradecanoyl-CoA(4-).
The molecule CC(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)[C@H](C(=O)NCCC(=O)NCCSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O is an organic disulfide arising from oxidative coupling of the thiol functions of coenzyme A and glutathione. It is an organic disulfide and a glutathione derivative. It derives from a coenzyme A. It is a conjugate acid of a CoA-glutathione(5-).
The molecule [NH3+]Cc1[nH]cc(CCC([O-])=O)c1CC([O-])=O [NH3+]Cc1[nH]cc(CCC([O-])=O)c1CC([O-])=O is conjugate base of porphobilinogen arising from deprotonation of the two carboxy groups and protonation of the amino group; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as dicarboxylic acid anion .
The molecule N(C1=NC(=NC2=CC=CC=C21)C3=CC=NC=C3)C=4C=CC(=CC4)C N(C1=NC(=NC2=CC=CC=C21)C3=CC=NC=C3)C=4C=CC(=CC4)C is A member of the class of quinazolines that is quinazoline which is substituted at positions 2 and 4 by pyridin-4-yl and (4-methylphenyl)nitrilo groups, respectively. It is also related to or classified as pyridines , toluenes , quinazolines , substituted aniline , secondary amino compound , aromatic amine .
The molecule CC(C)[C@](O)([C@H](C)O)C(=O)OCC1=CCN2CCC[C@@H]12 CC(C)[C@](O)([C@H](C)O)C(=O)OCC1=CCN2CCC[C@@H]12 is A carboxylic ester obtained by formal condensation of the carboxy group of (2S,3S)-2,3-dihydroxy-2-isopropylbutanoic acid with the hydroxy group of (7aS)-2,3,5,7a-tetrahydropyrrolizin-7-ylmethanol. It has the role of plant metabolite . It is also related to or classified as tertiary alcohol  . It is also related to or classified as secondary alcohol  .  It is also related to or classified as butyrate ester  .  It is also related to or classified as carboxylic ester  . It is also related to or classified as pyrrolizines , pyrrolizidine alkaloid .
The molecule [C@H]1([C@H]([C@@H]([C@H]([C@@H](O1)OC=2C(=C3C([C@]4(CC[C@]5([C@]([C@@]4(CC3)[H])(CC[C@@H]5O)[H])C)[H])=CC2)O)O)O)O)C(=O)O [C@H]1([C@H]([C@@H]([C@H]([C@@H](O1)OC=2C(=C3C([C@]4(CC[C@]5([C@]([C@@]4(CC3)[H])(CC[C@@H]5O)[H])C)[H])=CC2)O)O)O)O)C(=O)O is A steroid glucosiduronic acid that is 4-hydroxy-17beta-estradiol having a single beta-D-glucuronic acid residue attached at position 3. Its functional parent is 4-hydroxy-17beta-estradiol . It is a conjugate acid of 4-hydroxy-17beta-estradiol 3-O-(beta-D-glucuronide)(1-) .   It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as beta-D-glucosiduronic acid , steroid glucosiduronic acid , 4-hydroxy steroid .
The molecule Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1C[C@H](COP(O)(=O)OP(O)(O)=O)C=C1 Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1C[C@H](COP(O)(=O)OP(O)(O)=O)C=C1 is the organic diphosphate that is the 5'-diphosphate of (-)-carbovir. Its functional parent is (-)-carbovir . It is a conjugate acid of carbovir diphosphate(3-) . It is also related to or classified as organic diphosphate .
The molecule COC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)OC is a member of the class of benzoic acids that is benzoic acid substituted by methoxycarbonyl groups at positions 3 and 4 respectively. It has a role as a metabolite. It is a benzoate ester and a member of benzoic acids.
The molecule CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)O[C@H](CCCCO1)C)[C@@H](C)CO)C CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)O[C@H](CCCCO1)C)[C@@H](C)CO)C is N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1C(=O)O)O)O)O)O[C@H]2[C@@H]([C@H]([C@H](O[C@@H]2COS(O)(=O)=O)O[C@H]3[C@@H]([C@H]([C@@H](O[C@H]3C(O)=O)O[C@H]4[C@@H]([C@H]([C@H](O[C@@H]4CO)O[C@H]5[C@@H]([C@H]([C@@H](O[C@H]5C(O)=O)O[C@H]6[C@@H]([C@H]([C@H](O[C@@H]6CO)O[C@H]7[C@@H]([C@H]([C@@H](O[C@H]7C(O)=O)O[C@H]8[C@@H]([C@H](O[C@@H]8COS(O)(=O)=O)CO)O)O)O)NS(O)(=O)=O)O)OS(O)(=O)=O)O)NS(O)(=O)=O)O)OS(O)(=O)=O)O)NS(O)(=O)=O)O O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1C(=O)O)O)O)O)O[C@H]2[C@@H]([C@H]([C@H](O[C@@H]2COS(O)(=O)=O)O[C@H]3[C@@H]([C@H]([C@@H](O[C@H]3C(O)=O)O[C@H]4[C@@H]([C@H]([C@H](O[C@@H]4CO)O[C@H]5[C@@H]([C@H]([C@@H](O[C@H]5C(O)=O)O[C@H]6[C@@H]([C@H]([C@H](O[C@@H]6CO)O[C@H]7[C@@H]([C@H]([C@@H](O[C@H]7C(O)=O)O[C@H]8[C@@H]([C@H](O[C@@H]8COS(O)(=O)=O)CO)O)O)O)NS(O)(=O)=O)O)OS(O)(=O)=O)O)NS(O)(=O)=O)O)OS(O)(=O)=O)O)NS(O)(=O)=O)O is A heparan sulfate octasaccharide with sequence: GlcA-GlcNSO3(6-OSO3)-IdoA(2-OSO3)-GlcNSO3-IdoA(2-OSO3)-GlcNSO3-IdoA-aManR(6-OSO3) (aManR = 2,5-anhydro-D-mannitol). It is also related to or classified as heparan sulfate octasaccharide , oligosaccharide sulfate , amino octasaccharide .
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)CCCN(C)C C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)CCCN(C)C is 4-(dimethylamino)-N-[[(3S,9S,10S)-16-(dimethylamino)-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-9-yl]methyl]-N-methylbutanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=NC(=C(N1N)N)C#N is an aminoimidazole that is 1H-imidazole which is substituted by amino groups at positions 1 and 5, and by a cyano group at position 4. It is an aminoimidazole, a nitrile and a primary amino compound.
The molecule O=C1OC2=C(C=CC(=C2C)O[C@@H]3OC([C@H](OC)[C@H]([C@H]3O)OC(=O)N)(C)C)C(=C1NC(=O)C4=CC5=C(OC(C5)C(C)C)C=C4)O O=C1OC2=C(C=CC(=C2C)O[C@@H]3OC([C@H](OC)[C@H]([C@H]3O)OC(=O)N)(C)C)C(=C1NC(=O)C4=CC5=C(OC(C5)C(C)C)C=C4)O is Coumabiocin B.  It is also related to or classified as glycoside  . It is also related to or classified as coumarins .
The molecule C([C@H]([C@H](COP(=O)(O)O)O)O)O is the alditol 1-phosphate that is the 1-O-phospho derivative of erythritol with D configuration. It derives from an erythritol. It is a conjugate acid of a D-erythritol 1-phosphate(2-).
The molecule COC1=CC(O)=C(C=C1)C([O-])=O COC1=CC(O)=C(C=C1)C([O-])=O is A monohydroxybenzoate that is the conjugate base of  2-hydroxy-4-methoxybenzoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as methoxybenzoate , monohydroxybenzoate .
The molecule CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O is A branched pentasaccharide consisting of a beta-D-GlcNAc residue at the reducing end with an alpha-D-Man-(1->6)-[beta-D-Xyl-(1->2)]-beta-D-Man-(1->4)-beta-D-GlcNAc moiety attached via a beta-(1->4) linkage. It is also related to or classified as alpha-D-Manp-(1->6)-[beta-D-Xylp-(1->2)]-beta-D-Manp-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcpNAc  . It is also related to or classified as glucosamine oligosaccharide , amino sugar , amino pentasaccharide .
The molecule Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1C[C@H](COP(O)(O)=O)C=C1 Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1C[C@H](COP(O)(O)=O)C=C1 is the organic phosphate that is the 5'-monophosphate of (-)-carbovir. Its functional parent is (-)-carbovir . It is a conjugate acid of carbovir monophosphate(2-) . It is also related to or classified as organic phosphate .
The molecule [C@H]12[C@H]([C@@](CC(N)=O)(C)C3=[N+]1[Ni-2]45[N+]=6[C@H](C3)[C@H]([C@@H]7CCC(C(C67)=C8N5C(=CC9=[N+]4[C@]%10(C2)[C@@]([C@@H]9CCC([O-])=O)(C)CC(N%10)=O)[C@H]([C@@H]8CCC([O-])=O)CC([O-])=O)=O)CC([O-])=O)CCC([O-])=O [C@H]12[C@H]([C@@](CC(N)=O)(C)C3=[N+]1[Ni-2]45[N+]=6[C@H](C3)[C@H]([C@@H]7CCC(C(C67)=C8N5C(=CC9=[N+]4[C@]%10(C2)[C@@]([C@@H]9CCC([O-])=O)(C)CC(N%10)=O)[C@H]([C@@H]8CCC([O-])=O)CC([O-])=O)=O)CC([O-])=O)CCC([O-])=O is the penta-anion resulting from the removal of a proton from each of the carboxylic acid groups of coenzyme F430. The major species at pH 7.3. It has the role of cofactor . It is also related to or classified as pentacarboxylic acid anion .
The molecule C1CCCCC1C2=CC=C(C3=C2C=CC=C3)[C@H](C(O)=O)C C1CCCCC1C2=CC=C(C3=C2C=CC=C3)[C@H](C(O)=O)C is the R-enantiomer of the racemic drug vedaprofen. The racemate is used for control of pain and inflammation particularly associated with chronic musculoskeletal disorders and soft tissue trauma in dogs and horses and for treatment of pain due to horse colic. It is also related to or classified as 2-(4-cyclohexyl-1-naphthyl)propanoic acid  .
The molecule [C@H]1([C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=3[C@@]4([C@]([C@]5([C@@]([C@@H](O)CC5)(CC4)C)[H])(CCC3C=C2O)[H])[H])O)O)O)C(=O)O [C@H]1([C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=3[C@@]4([C@]([C@]5([C@@]([C@@H](O)CC5)(CC4)C)[H])(CCC3C=C2O)[H])[H])O)O)O)C(=O)O is A steroid glucosiduronic acid that is 2-hydroxy-17beta-estradiol having a single beta-D-glucuronic acid residue attached at position 2. Its functional parent is 2-hydroxy-17beta-estradiol . It is a conjugate acid of 2-hydroxy-17beta-estradiol 2-O-(beta-D-glucuronide)(1-) .   It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as beta-D-glucosiduronic acid , steroid glucosiduronic acid , 3-hydroxy steroid .
The molecule N(=C1CCC2=C1C=CC(=C2)C=3N=C(NC3C=4C=CN=CC4)C5=CC=C(C=C5)OCCN(C)C)O N(=C1CCC2=C1C=CC(=C2)C=3N=C(NC3C=4C=CN=CC4)C5=CC=C(C=C5)OCCN(C)C)O is A ketoxime that is the oxime of indan-1-one in which the hydrogen at position 5 has been replaced by an imidazol-5-yl group which has itself been substituted at positions 2 and 4 by p-[2-(dimethylamino)ethoxy]phenyl and pyridin-4-yl groups, respectively.  It is also related to or classified as ketoxime  . It is also related to or classified as imidazoles , pyridines , aromatic ether , tertiary amino compound .
The molecule CC(C)CC(N)C([O-])=O CC(C)CC(N)C([O-])=O is an alpha-amino-acid anion that is the conjugate base of leucine, arising from deprotonation of the carboxy group. It is also related to or classified as alpha-amino-acid anion , branched-chain amino-acid anion .
The molecule CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\\CCCCCCCC is a 1-alkyl-2-acyl-sn-glycero-3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-palmityl-2-oleoyl-sn-glycero-3-phosphate; major species at pH 7.3. It is a conjugate base of a 1-palmityl-2-oleoyl-sn-glycero-3-phosphate.
The molecule O1C2C3C4(NC(=NC3O)N)C(O)[C@H](OC1(O)[C@H]4O)C2(O)CO O1C2C3C4(NC(=NC3O)N)C(O)[C@H](OC1(O)[C@H]4O)C2(O)CO is (11s,13s)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol. Its functional parent is tetrodotoxin . It is also related to or classified as quinazoline alkaloid .
The molecule OC(=O)C(=O)C(O)=O OC(=O)C(=O)C(O)=O is oxomalonic acid. Its functional parent is malonic acid . It is a conjugate acid of oxomalonate(1-) . It is also related to or classified as oxo dicarboxylic acid .
The molecule O=C(O[C@H]1[C@H](O)[C@@H](O)[C@H](OC(=O)C2=C(O)C=CC=C2C)[C@H](C1)NC(=O)C3=CC(O)=CC=C3)N O=C(O[C@H]1[C@H](O)[C@@H](O)[C@H](OC(=O)C2=C(O)C=CC=C2C)[C@H](C1)NC(=O)C3=CC(O)=CC=C3)N is Nabscebetain B. Its functional parent is salicylic acid . It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1O OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1O is the 1-phospho derivative of alpha-D-ribose. It has the role of Escherichia coli metabolite . Its functional parent is alpha-D-ribose . It is a conjugate acid of alpha-D-ribose 1-phosphate(2-) . It is also related to or classified as D-ribose 1-phosphate  .
The molecule O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1C(=O)O)O)O)O)O[C@H]2[C@@H]([C@H]([C@H](O[C@@H]2COS(O)(=O)=O)O[C@H]3[C@@H]([C@H]([C@@H](O[C@H]3C(O)=O)O[C@H]4[C@@H]([C@H]([C@H](O[C@@H]4COS(O)(=O)=O)O[C@H]5[C@@H]([C@H]([C@@H](O[C@H]5C(O)=O)O[C@H]6[C@@H]([C@H]([C@H](O[C@@H]6CO)O[C@H]7[C@@H]([C@H]([C@@H](O[C@H]7C(O)=O)O[C@H]8[C@@H]([C@H](O[C@@H]8CO)CO)O)O)O)NS(O)(=O)=O)O)OS(O)(=O)=O)O)NS(O)(=O)=O)O)OS(O)(=O)=O)O)NS(O)(=O)=O)O O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1C(=O)O)O)O)O)O[C@H]2[C@@H]([C@H]([C@H](O[C@@H]2COS(O)(=O)=O)O[C@H]3[C@@H]([C@H]([C@@H](O[C@H]3C(O)=O)O[C@H]4[C@@H]([C@H]([C@H](O[C@@H]4COS(O)(=O)=O)O[C@H]5[C@@H]([C@H]([C@@H](O[C@H]5C(O)=O)O[C@H]6[C@@H]([C@H]([C@H](O[C@@H]6CO)O[C@H]7[C@@H]([C@H]([C@@H](O[C@H]7C(O)=O)O[C@H]8[C@@H]([C@H](O[C@@H]8CO)CO)O)O)O)NS(O)(=O)=O)O)OS(O)(=O)=O)O)NS(O)(=O)=O)O)OS(O)(=O)=O)O)NS(O)(=O)=O)O is A heparan sulfate octasaccharide with sequence: GlcA-GlcNSO3(6-OSO3)-IdoA(2-OSO3)-GlcNSO3(6-OSO3)-IdoA(2-OSO3)-GlcNSO3-IdoA-aManR (aManR = 2,5-anhydro-D-mannitol). It is also related to or classified as heparan sulfate octasaccharide , oligosaccharide sulfate , amino octasaccharide .
The molecule C(N[C@H](P(=O)(OCC)OCC)C)(N(N=O)CCCl)=O C(N[C@H](P(=O)(OCC)OCC)C)(N(N=O)CCCl)=O is A diethyl (1-{[(2-chloroethyl)(nitroso)carbamoyl]amino}ethyl)phosphonate that has R configuration. It is also related to or classified as diethyl (1-{[(2-chloroethyl)(nitroso)carbamoyl]amino}ethyl)phosphonate  .
The molecule C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCC(=O)C4)C)O)C is a bile acid anion that is the conjugate base of 7alpha-hydroxy-3-oxo-5beta-cholan-24-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 7alpha-hydroxy-3-oxo-5beta-cholan-24-oic acid.
The molecule C1=CC2=C(C=CC(=O)N2)C=C1O is a dihydroxyquinoline that is quinoline in which the hydrogens at positions 2 and 6 are replaced by hydroxy groups.