anonymous041/ChEBI-Augmented huggingface dataset:
The molecule COc1c(CC=C(C)C)c(O)cc2OC[C@H](Cc12)c1ccc(O)c(CC=C(C)C)c1O COc1c(CC=C(C)C)c(O)cc2OC[C@H](Cc12)c1ccc(O)c(CC=C(C)C)c1O is A member of the class of hydroxyisoflavans that is R-isoflavan with hydroxy groups at positions 7, 2' and 4', a methoxy group at position 5 and prenyl groups at positions 6 and 3'. Isolated from Glycyrrhiza uralensis, it exhibits antibacterial activity. It has the role of antibacterial agent . It has the role of plant metabolite . It is also related to or classified as aromatic ether , hydroxyisoflavans , methoxyisoflavan .
The molecule [H][C@]1(O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@@]4(C)[C@]([H])(CC[C@]4(C)C3=CC[C@@]2([H])C1(C)C)[C@]1([H])C[C@H](O[C@H]1OC)C=C(C)C [H][C@]1(O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@@]4(C)[C@]([H])(CC[C@]4(C)C3=CC[C@@]2([H])C1(C)C)[C@]1([H])C[C@H](O[C@H]1OC)C=C(C)C is A triterpenoid saponin isolated from Sapindus mukorossi and has been shown to exhibit inhibitory activity against platelet aggregation. It has the role of platelet aggregation inhibitor . It has the role of plant metabolite . It is also related to or classified as oxolanes , triterpenoid saponin , trisaccharide derivative , tirucallane triterpenoid .
The molecule COP(=O)(OC)C(O)C(Cl)(Cl)Cl COP(=O)(OC)C(O)C(Cl)(Cl)Cl is A phosphonic ester that is dimethyl phosphonate in which the hydrogen atom attched to the phosphorous is substituted by a 2,2,2-trichloro-1-hydroxyethyl group. It has the role of insecticide . It has the role of agrochemical . It has the role of anthelminthic drug . It has the role of EC 3.1.1.8 (cholinesterase) inhibitor . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . It is also related to or classified as organochlorine compound  . It is also related to or classified as organic phosphonate , phosphonic ester .
The molecule [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@@]4(C)[C@]([H])(CC[C@]4(C)C3=CC[C@@]2([H])C1(C)C)[C@]1([H])C[C@H](O[C@H]1OC)C=C(C)C [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@@]4(C)[C@]([H])(CC[C@]4(C)C3=CC[C@@]2([H])C1(C)C)[C@]1([H])C[C@H](O[C@H]1OC)C=C(C)C is A triterpenoid saponin isolated from  Sapindus mukorossi and has been shown to exhibit inhibitory activity against platelet aggregation. It has the role of platelet aggregation inhibitor . It has the role of plant metabolite . It is also related to or classified as oxolanes , triterpenoid saponin , disaccharide derivative , tirucallane triterpenoid .
The molecule COC(=O)C(=C)[C@@H]1CC2=C(C)C(=O)O[C@@]2(O)C[C@@]1(C)C=C COC(=O)C(=C)[C@@H]1CC2=C(C)C(=O)O[C@@]2(O)C[C@@]1(C)C=C is sericealactone, (rel)-. It has the role of metabolite . It is also related to or classified as terpene lactone .
The molecule [H][C@@]12O[C@@]1(C)C[C@@H](O)[C@H](O)\C(C)=C/C[C@@H](C(C)C)[C@H]2O [H][C@@]12O[C@@]1(C)C[C@@H](O)[C@H](O)\C(C)=C/C[C@@H](C(C)C)[C@H]2O is A germacrane sesquiterpenoid that is 4,5-epoxygermacra-9Z-ene substituted by hydroxy groups at positions 1, 2 and 6. Isolated from Santolina insularis, it exhibits cytotoxicity against human colon carcinoma cell line. It has the role of metabolite . It has the role of antineoplastic agent .  It is also related to or classified as epoxide  . It is also related to or classified as triol , germacrane sesquiterpenoid .
The molecule [H][C@]1(CC2=C(C)C(=O)OC2=C[C@@]1(C)C=C)C(=C)C(=O)OC [H][C@]1(CC2=C(C)C(=O)OC2=C[C@@]1(C)C=C)C(=C)C(=O)OC is hiiranlactone C. It has the role of metabolite . It is also related to or classified as benzofurans .
The molecule OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O is the sophoroside derivative of 4-nitrophenol. It is also related to or classified as sophoroside  .  It is also related to or classified as glycoside  . It is also related to or classified as C-nitro compound .
The molecule CC[C@H](C)/C=C/C1=CC2=C(C(=O)[C@@]3([C@H](C2=CO1)[C@@H](C(=O)O3)C(=O)[C@@H](C)[C@H](C)O)C)Cl is an azaphilone that is 9,9a-dihydro-6H-furo[2,3-h]isochromene-6,8(6aH)-dione substituted by a chloro group at position 5, a 3-hydroxy-2-methylbutanoyl group at position 9, a methyl group at position 6a and a 3-methylpent-1-en-1yl group at position 3. It has been isolated from Chaetomium globosum. It has a role as a Chaetomium metabolite. It is a beta-hydroxy ketone, a gamma-lactone, an azaphilone, an enone, an organic heterotricyclic compound, an organochlorine compound and a secondary alcohol.
The molecule CC(C)([C@@H](O)C([O-])=O)C([O-])=O CC(C)([C@@H](O)C([O-])=O)C([O-])=O is dicarboxylate anion of (R)-3,3-dimethylmalic acid. It is also related to or classified as dicarboxylic acid dianion  .
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4 C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4 is N-[(3S,9S,10S)-9-[[benzoyl(methyl)amino]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]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule COCC(=O)NC[C@@H]1[C@H]([C@H](N1C(=O)C2=CC=CC=C2)CO)C3=CC=CC=C3 COCC(=O)NC[C@@H]1[C@H]([C@H](N1C(=O)C2=CC=CC=C2)CO)C3=CC=CC=C3 is N-[[(2S,3R,4S)-1-benzoyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-2-methoxyacetamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O is d-Glucopyranose with beta configuration at the anomeric centre. It has a role as an epitope and a mouse metabolite. It is an enantiomer of a beta-L-glucose.
The molecule C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](CO)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](CO)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@H](O)[C@@H]1O is A branched amino tetrasaccharide comprising N-acetyl-beta-D-glucosamine at the reducing end with a alpha-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl moiety attached at the 4-position. It is also related to or classified as alpha-D-Gal-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->4)-D-GlcNAc  .
The molecule O=C(O[C@H]1[C@@H](O)[C@@H]2C=C[C@H]([C@@H](CC)C)[C@@]([C@H]2[C@@H](C1)C)(C(=O)CCO)C)/C=C(/CC(=O)OCCC(=O)[C@@]3([C@@H]4[C@@H](C=C[C@@H]3[C@@H](CC)C)[C@H](O)[C@H](OC(=O)/C=C(/CC(=O)OC)\C)C[C@H]4C)C)\C O=C(O[C@H]1[C@@H](O)[C@@H]2C=C[C@H]([C@@H](CC)C)[C@@]([C@H]2[C@@H](C1)C)(C(=O)CCO)C)/C=C(/CC(=O)OCCC(=O)[C@@]3([C@@H]4[C@@H](C=C[C@@H]3[C@@H](CC)C)[C@H](O)[C@H](OC(=O)/C=C(/CC(=O)OC)\C)C[C@H]4C)C)\C is Tandyukisin F. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule C=1(C=CC(=CC1Cl)Cl)\C(\OCCOC2=CC=C(C=C2)Cl)=C(\N3C=CN=C3)/C.[N+](O)(=O)[O-] C=1(C=CC(=CC1Cl)Cl)\C(\OCCOC2=CC=C(C=C2)Cl)=C(\N3C=CN=C3)/C.[N+](O)(=O)[O-] is Omoconazole nitrate. It is also related to or classified as organic nitrate salt , imidazole antifungal drug , conazole antifungal drug .
The molecule C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F is N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-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 .
The molecule CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\\C)/C=C/C=C(\\C)/C=C/C=C(\\C)/CC/C=C(\\C)/CO)/C)/C)/C)C is a carotenol that is carotenol psi,psi-carotene substituted by a hydroxy group. It derives from a hydride of a lycopene.
The molecule [H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])C1=CCc1cc(O)ccc21 [H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])C1=CCc1cc(O)ccc21 is equilin. It is also related to or classified as 17-oxo steroid  . It is also related to or classified as 3-hydroxy steroid .
The molecule C1=CC(=CC=C1N=NC2=CC(=C(C=C2)N)S(=O)(=O)[O-])S(=O)(=O)[O-] is an organosulfonate oxoanion resulting from the removal of a proton from both of the sulfo groups of 4-aminoazobenzene-3,4'-disulfonic acid. It is a conjugate base of a 4-aminoazobenzene-3,4'-disulfonic acid.
The molecule FC(F)(F)C1=NC=CC=C1C(=O)NC1CCC1C1=C(Cl)C=C(Cl)C=C1 FC(F)(F)C1=NC=CC=C1C(=O)NC1CCC1C1=C(Cl)C=C(Cl)C=C1 is A member of the class of cyclobutanes that is cyclobutane substituted by [2-(trifluoromethyl)pyridine-3-carbonyl]amino and 2,4-dichlorophenyl groups at positions 1 and 2, respectively. It is also related to or classified as secondary carboxamide  .  It is also related to or classified as dichlorobenzene  .  It is also related to or classified as organofluorine compound  . It is also related to or classified as cyclobutanes , pyridinecarboxamide .
The molecule COC1=CC2=C(C=C1)C=C(C=C2)CC(=O)O is a monocarboxylic acid consisting of 2-naphthylacetic acid having a methoxy substituent at the 6-position. The active metabolite of the prodrug nabumetone. It has a role as an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor, a drug metabolite and a xenobiotic metabolite. It is a monocarboxylic acid and a methoxynaphthalene. It derives from a 2-naphthylacetic acid.
The molecule C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](CO)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H]2[C@@H](O)[C@@H](CO)O[C@H](O)[C@@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](CO)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H]2[C@@H](O)[C@@H](CO)O[C@H](O)[C@@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O is A branched amino tetrasaccharide comprising N-acetyl-alpha-D-galactosamine at the reducing end with an alpha-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl moiety attached at the 3-position. It is also related to or classified as alpha-D-Galp-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp-(1->3)-D-GalpNAc  .
The molecule CO[C@@H]1C[C@@H]2[N@]3CC[C@]2(C=C1)c1cc(O)c(OC)c(OC)c1C3 CO[C@@H]1C[C@@H]2[N@]3CC[C@]2(C=C1)c1cc(O)c(OC)c(OC)c1C3 is an isoquinoline alkaloid that is 3,4,4a,5,6,10b-hexahydro-5,10b-ethanophenanthridin-9-ol bearing three additional methoxy substituents at positions 3, 7 and 8. It has the role of plant metabolite .  It is also related to or classified as phenols  . It is also related to or classified as isoquinoline alkaloid , aromatic ether , organic heterotetracyclic compound .
The molecule C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H]([C@H]([C@@H](O3)CO)O)O)O)O is a nucleotide-sugar oxoanion resulting from the removal of two protons from the diphosphate group of UDP-beta-L-arabinofuranose. It is a conjugate base of an UDP-beta-L-arabinofuranose.
The molecule C(CS(=O)(=O)O)S is an organosulfonic acid consisting of sulfonic acid having a 2-mercaptoethyl group attached to sulfur. It has a role as a coenzyme. It is an organosulfonic acid and a thiol. It is a conjugate acid of a coenzyme M(1-).
The molecule C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C is N-[(5S,6R,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-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 [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@@H]1[C@@H](O)[C@@H](O[C@H](CO)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)O[C@H]1[C@H](O)[C@@H](O)C(O)O[C@@H]1CO)C(O)=O)[C@H](O)[C@H](O)CO [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@@H]1[C@@H](O)[C@@H](O[C@H](CO)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)O[C@H]1[C@H](O)[C@@H](O)C(O)O[C@@H]1CO)C(O)=O)[C@H](O)[C@H](O)CO is A branched amino tetrasaccharide consisting of the linear sequence beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-D-Glc having a Neu5Ac residue attached to the galactose via an alpha-(2->3) linkage. It is also related to or classified as galactosamine oligosaccharide , amino tetrasaccharide .
The molecule C(C(CN=C(N)N)O)C(C(=O)O)N is a hydroxyarginine in which the hydroxy group is located at position 4. It is a hydroxyarginine, a secondary alcohol, a non-proteinogenic alpha-amino acid and a member of guanidines.
The molecule C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)OP(=O)(O3)O is a 2',3'-cyclic pyrimidine nucleotide in which uridine is the parent nucleoside. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a 2',3'-cyclic UMP(1-).
The molecule C1=NNC2=C1C(=O)NC=N2 is a bicyclic structure comprising a pyrazole ring fused to a hydroxy-substituted pyrimidine ring. It has a role as a radical scavenger, a gout suppressant, an antimetabolite and an EC 1.17.3.2 (xanthine oxidase) inhibitor. It is an organic heterobicyclic compound and a nucleobase analogue. It derives from a hydride of a 1H-pyrazolo[4,3-d]pyrimidine.
The molecule C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](CO)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)[C@@H]3O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](CO)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)[C@@H]3O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O is A branched derivative heptasaccharide consisting of the tetrasaccharide derivative beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-D-glucose where the galactosyl residue at the non-reducing end has alpha-L-fucosyl and N-acetyl-alpha-D-galactosaminyl residues attached at the 2- and 3-positions respectively and the glucosaminyl residue has an alpha-L-fucosyl residue attached at the 3-position. It is also related to or classified as galactosamine oligosaccharide , glucosamine oligosaccharide , heptasaccharide derivative .
The molecule C1=CC=C2C(=C1)C(=C[N]2)CC(C(=O)O)N is an alpha-amino-acid radical derived from tryptophan. It derives from a tryptophan. It is a conjugate base of a tryptophanyl radical cation.
The molecule C1CCC(C1)CC#CC2=CC=C(C=C2)[C@@H]3[C@H]4CN(CC(=O)N4[C@H]3CO)C(=O)CC5=CC=CC=N5 C1CCC(C1)CC#CC2=CC=C(C=C2)[C@@H]3[C@H]4CN(CC(=O)N4[C@H]3CO)C(=O)CC5=CC=CC=N5 is (6S,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(2-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CCCNC(=O)N(C[C@@H]1[C@H]([C@H](N1)CO)C2=CC=CC=C2)CC3=CN=CC=C3 CCCNC(=O)N(C[C@@H]1[C@H]([C@H](N1)CO)C2=CC=CC=C2)CC3=CN=CC=C3 is 1-[[(2S,3R,4S)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-3-propyl-1-(3-pyridinylmethyl)urea. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C[C@H]1[C@H](O1)P(=O)(O)[O-] is an organophosphonate oxoanion obtained by deprotonation of one of the two phosphonate OH groups of (1R,2S)-epoxypropylphosphonic acid; major species at pH 7.3. It has a role as an antimicrobial agent. It is a conjugate base of a fosfomycin. It is a conjugate acid of a (1R,2S)-epoxypropylphosphonate(2-).
The molecule O1[C@@H](O[C@@H]2[C@@H](NC(=O)C)C(O[C@@H]([C@@H]2O)CO)O)[C@H](O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)[C@@H](O)[C@@H](O[C@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)[C@H]1CO O1[C@@H](O[C@@H]2[C@@H](NC(=O)C)C(O[C@@H]([C@@H]2O)CO)O)[C@H](O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)[C@@H](O)[C@@H](O[C@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)[C@H]1CO is an amino tetrasaccharide that is alpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-D-GalpNAc in which the hydroxy group at position 4 of the beta-D-galactopyranosyl moiety has been glycosylated by an alpha-D-galactopyranosyl group. Its functional parent is alpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-D-GalpNAc . It is also related to or classified as acetamides , amino tetrasaccharide .
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)[C@@H]3O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)[C@@H]3O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O is A branched heptasaccharide derivative consisting of the tetrasaccharide derivative beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-D-glucose where the galactosyl residue at the non-reducing end has alpha-L-fucosyl and N-acetyl-alpha-D-galactosaminyl residues attached at the 2- and 3-positions respectively and the glucosaminyl residue has an alpha-L-fucosyl residue attached at the 4-position. It is also related to or classified as galactosamine oligosaccharide , glucosamine oligosaccharide , heptasaccharide derivative .
The molecule C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC3=CN=CC=C3 C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC3=CN=CC=C3 is N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(3-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCC/C=C\\CCCCCCCC)O is an N-icosenoylsphingosine in which the double bond is located at position 11 (the Z-geoisomer). It derives from an (11Z)-icos-11-enoic acid.
The molecule CCCCCCC(CO)CCCC CCCCCCC(CO)CCCC is A primary alcohol that is 1-octanol substituted by a butyl group at position 2. Metabolite observed in cancer metabolism. It has the role of human metabolite . It is also related to or classified as primary alcohol  . It is also related to or classified as medium-chain fatty alcohol , alkyl alcohol .
The molecule [NH3+]CC[C@H](O)C(=O)N[C@@H]1C[C@H]([NH3+])[C@@H](O[C@H]2O[C@H](C[NH3+])[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]1O [NH3+]CC[C@H](O)C(=O)N[C@@H]1C[C@H]([NH3+])[C@@H](O[C@H]2O[C@H](C[NH3+])[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]1O is an organic cation obtained by protonation of the four free amino groups of amikacin; major species at pH 7.3. It is a conjugate acid of amikacin . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule OC[C@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O OC[C@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O is A UDP-D-galactose(2-) in which the anomeric centre of the galactose moiety has alpha-configuration. It is also related to or classified as UDP-monosaccharide(2-)  . It is also related to or classified as UDP-D-galactose(2-)  .
The molecule C([C@@H]1[C@H]([C@H](C(O1)O)OP(=O)(O)O)O)OP(=O)(O)O is a ribose bisphosphate that consists of D-ribose having two monophosphate groups at the 2- and 5-positions. It derives from a D-ribose. It is a conjugate acid of a D-ribofuranose-2,5-bisphosphate(4-).
The molecule [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](C[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](C[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O is A steroid glucosiduronic acid comprising 11alpha-hydroxyprogesterone having a beta-Dglucosiduronic acid residue attached to the 11-hydroxy group via a glycosidic linkage. Its functional parent is 11alpha-hydroxyprogesterone . It is also related to or classified as steroid glucosiduronic acid .
The molecule C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1[NH3+])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C[NH3+])O)O)[NH3+])O)O)[NH3+] is an organic cation obtained by protonation of the four free amino groups of neamine; major species at pH 7.3. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a neamine.
The molecule CC(\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C CC(\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C is A carotenol that exhibits antioxidant activity. It has been isolated from fruits such as papaya and oranges. It has the role of antioxidant . It has the role of biomarker . It has the role of provitamin A . It has the role of plant metabolite . It is also related to or classified as carotenol .
The molecule C#[N+][O-] is a nitrile oxide resulting from the oxidation of hydrogen cyanide. It is a hydracid, a nitrile oxide and a one-carbon compound. It is a conjugate acid of a fulminate.
The molecule COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-] is a C-nitro compound that is 4-nitrophenol substituted by a (dimethoxyphosphorothioyl)oxy group at position 4. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an EC 3.1.1.8 (cholinesterase) inhibitor, an acaricide, an agrochemical, a genotoxin, an environmental contaminant and an antifungal agent. It is an organic thiophosphate, an organothiophosphate insecticide and a C-nitro compound. It derives from a 4-nitrophenol.
The molecule C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC4=C(C=C3)OCO4 C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC4=C(C=C3)OCO4 is N-[(5S,6R,9S)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2,2,2-trifluoroethanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H](CCCCCCCCCCCCC/C=C/C(=O)O)O is an (omega-1)-hydroxy fatty acid that is (2E)-octadec-2-enoic acid in which the 17-pro-R hydrogen is replaced by a hydroxy group. It is an (omega-1)-hydroxy fatty acid, a long-chain fatty acid, an alpha,beta-unsaturated monocarboxylic acid and a hydroxy monounsaturated fatty acid. It derives from a trans-octadec-2-enoic acid.
The molecule CC(=O)OCC[N+](C)(C)C CC(=O)OCC[N+](C)(C)C is actylcholine is an ester of acetic acid and choline, which acts as a neurotransmitter. It has the role of hormone . It has the role of neurotransmitter . It has the role of vasodilator agent . It has the role of muscarinic agonist . It has the role of mouse metabolite . It has the role of human metabolite . It is also related to or classified as acylcholine  . It is also related to or classified as acetate ester  .
The molecule C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)O)C(=O)O)CSC4=NN=NN4CS(=O)(=O)O is a cephalosporin bearing {[1-(sulfomethyl)-1H-tetrazol-5-yl]sulfanyl}methyl and (R)-2-hydroxy-2-phenylacetamido groups at positions 3 and 7, respectively, of the cephem skeleton. It has a role as an antibacterial drug. It is a conjugate acid of a cefonicid(2-).
The molecule C1[C@@H](NC(=[NH+][C@H]1O)N)[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=C\\NC(=O)N)/C(=O)N2)CO)CO)NC(=O)C[C@H](CCC[NH3+])[NH3+] is viomycin protonated to pH 7.3 It has a role as an antitubercular agent. It is a conjugate acid of a viomycin.