anonymous041/ChEBI-Augmented huggingface dataset:
The molecule N1(C2=CC=CC=C2)C(=C(/C=C/C3=[N+](C4=C(C=C(N(C)C)C=C4)C=C3)C)C=C1C)C.C1=CC=CC2=C1C=C(C(=C2CC=3C4=C(C=C(C3O)C(=O)[O-])C=CC=C4)O)C(=O)[O-].N1(C2=CC=CC=C2)C(=C(/C=C/C3=[N+](C4=C(C=C3)C=C(C=C4)N(C)C)C)C=C1C)C N1(C2=CC=CC=C2)C(=C(/C=C/C3=[N+](C4=C(C=C(N(C)C)C=C4)C=C3)C)C=C1C)C.C1=CC=CC2=C1C=C(C(=C2CC=3C4=C(C=C(C3O)C(=O)[O-])C=CC=C4)O)C(=O)[O-].N1(C2=CC=CC=C2)C(=C(/C=C/C3=[N+](C4=C(C=C3)C=C(C=C4)N(C)C)C)C=C1C)C is Pyrvinium pamoate. It has the role of anticoronaviral agent . It is also related to or classified as naphthoic acid .
The molecule C1=CC2=C(OC=3C(C=CC(C3)=[N+](C)C)=C2)C=C1N(C)C C1=CC2=C(OC=3C(C=CC(C3)=[N+](C)C)=C2)C=C1N(C)C is an iminium ion that is the cationic component of pyronin Y. It is also related to or classified as iminium ion .
The molecule COc1cc(ccc1O)C(C)O COc1cc(ccc1O)C(C)O is A member of the class of  phenols that is phenol substituted by a methoxy group at position 2 and a 1-hydroxyethyl group at position 4 respectively.  It is also related to or classified as phenols  . It is also related to or classified as benzyl alcohols , methoxybenzenes .
The molecule COC(=O)\C=C\c1ccc(OC)cc1 COC(=O)\C=C\c1ccc(OC)cc1 is an alkyl cinnamate obtained by the formal condensation of carboxy group of 4-methoxycinnamic acid with methanol. It is also related to or classified as alkyl cinnamate  . It is also related to or classified as monomethoxybenzene .
The molecule COC(=O)c1ccc(OC)cc1 COC(=O)c1ccc(OC)cc1 is A benzoate ester obtained by the formal condensation of the carboxy group of 4-methoxybenzoic acid with methanol. Its functional parent is 4-methoxybenzoic acid . It is also related to or classified as monomethoxybenzene , benzoate ester .
The molecule C=1C(=C(C=CC1/C=C/CO)OC(CO)C(O)C=2C=C(C(=CC2)O)OC)OC C=1C(=C(C=CC1/C=C/CO)OC(CO)C(O)C=2C=C(C(=CC2)O)OC)OC is A guaiacyl lignin that is guaiacylglycerol in which the hydrogen on the 2-hydroxy function has been replaced by a beta-coniferyl group. It has the role of plant metabolite . It has the role of bacterial metabolite . Its functional parent is coniferol . Its functional parent is guaiacylglycerol . It is also related to or classified as primary alcohol  .  It is also related to or classified as phenols  . It is also related to or classified as secondary alcohol  . It is also related to or classified as monomethoxybenzene , guaiacyl lignin .
The molecule C=12OC(C(C1C=C(C=C2OC)/C=C/CO)CO)C3=CC(=C(C(=C3)OC)O)OC C=12OC(C(C1C=C(C=C2OC)/C=C/CO)CO)C3=CC(=C(C(=C3)OC)O)OC is A guaiacyl lignin that is found in Arabidopsis thaliana. It has the role of plant metabolite . Its functional parent is coniferol . Its functional parent is sinapyl alcohol . It is also related to or classified as primary alcohol  . It is also related to or classified as phenols  . It is also related to or classified as 1-benzofurans , dimethoxybenzene , guaiacyl lignin .
The molecule COc1cc(cc(OC)c1OC(C)=O)C(O)=O COc1cc(cc(OC)c1OC(C)=O)C(O)=O is A phenyl acetate obtained by the formal condensation of hydroxy group of syringic acid with acetic acid. Its functional parent is syringic acid . It is also related to or classified as phenyl acetates  . It is also related to or classified as benzoic acids , dimethoxybenzene .
The molecule CN(C)c1ccc2[n+](C)c(\C=C\c3cc(C)n(c3C)-c3ccccc3)ccc2c1 CN(C)c1ccc2[n+](C)c(\C=C\c3cc(C)n(c3C)-c3ccccc3)ccc2c1 is A quinolinium ion that is 1-methylquinolinium substituted by dimethylamino group at position 6 and a (E)-2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl at position 2. It is a  anthelminthic drug active against pinworms. The salts of pyrvinium can also be used as anticancer agents. It has the role of anthelminthic drug . It has the role of antineoplastic agent . It is also related to or classified as quinolinium ion .
The molecule COc1cc(C=O)cc(OC)c1OC(C)=O COc1cc(C=O)cc(OC)c1OC(C)=O is A phenyl acetate obtained by the formal condensation of the hydroxy group of syringaldehyde with acetic acid. Its functional parent is syringaldehyde . It is also related to or classified as phenyl acetates  . It is also related to or classified as benzaldehydes , dimethoxybenzene .
The molecule COC(=O)c1ccc(OC(C)=O)cc1 COC(=O)c1ccc(OC(C)=O)cc1 is A benzoate ester that is methyl benzoate substituted by an acetoxy group at position 4. It is also related to or classified as phenyl acetates  . It is also related to or classified as benzoate ester .
The molecule O=C(Oc1ccccc1)c1ccccc1 O=C(Oc1ccccc1)c1ccccc1 is A benzoate ester obtained by the formal condensation of phenol with benzoic acid. It is also related to or classified as benzoate ester .
The molecule OC(=O)CC=CCC(O)=O OC(=O)CC=CCC(O)=O is A hexenedioic acid where the C=C double bond is located at the 3-position. It is also related to or classified as hexenedioic acid .
The molecule OC(=O)C\C=C\CC(O)=O OC(=O)C\C=C\CC(O)=O is the trans-stereoisomer of 3-hexenedioic acid. It is also related to or classified as 3-hexenedioic acid  .
The molecule COc1cc(C=O)ccc1OC(C)=O COc1cc(C=O)ccc1OC(C)=O is A phenyl acetate obtained by the formal condensation of phenolic group of vanillin with acetic acid. Its functional parent is vanillin . It is also related to or classified as phenyl acetates  . It is also related to or classified as benzaldehydes , monomethoxybenzene .
The molecule COc1cc(COC(C)=O)cc(OC)c1OC(C)=O COc1cc(COC(C)=O)cc(OC)c1OC(C)=O is A phenyl acetate that is the diacetate ester derivative of syringyl alcohol. Its functional parent is syringyl alcohol . It is also related to or classified as phenyl acetates  . It is also related to or classified as dimethoxybenzene .
The molecule Cc1cc(C)nc(Nc2ccccc2)n1 Cc1cc(C)nc(Nc2ccccc2)n1 is A member of the class of aminopyrimidines that is N-phenylpyrimidin-2-amine carrying two additional methyl substituents at positions 4 and 6.  A fungicide used to control grey mould on fruit, vegetables and ornamentals as well as leaf scab on pome fruit. Also commonly employed to control Botrytis cinerea throughout the winemaking process in grapes, must, fermenting must and wine. It has the role of xenobiotic . It has the role of aryl hydrocarbon receptor agonist . It has the role of environmental contaminant . It has the role of antifungal agrochemical . It is also related to or classified as aminopyrimidine , secondary amino compound , anilinopyrimidine fungicide .
The molecule COC(=O)\C=C\c1ccc(OC)c(OC)c1 COC(=O)\C=C\c1ccc(OC)c(OC)c1 is an alkyl cinnamate obtained by the formal condensation of carboxy group of 3,4-dimethoxycinnamic acid with methanol. Its functional parent is 3,4-dimethoxycinnamic acid . It is also related to or classified as alkyl cinnamate  . It is also related to or classified as dimethoxybenzene .
The molecule COc1cc(CO)cc(OC)c1O COc1cc(CO)cc(OC)c1O is A member of the class of phenols that is phenol substituted by a hydroxymethyl group at position 4 and methoxy groups at positions 2 and 6 respectively.  It is also related to or classified as phenols  . It is also related to or classified as benzyl alcohols , dimethoxybenzene .
The molecule COc1cc(COC(C)=O)ccc1OC(C)=O COc1cc(COC(C)=O)ccc1OC(C)=O is A phenyl acetate that is the diacetate obtained from the formal condensation of the two hydroxy groups of vanillyl alcohol with two molecules of acetic acid. Its functional parent is vanillyl alcohol . It is also related to or classified as phenyl acetates  . It is also related to or classified as monomethoxybenzene .
The molecule COc1ccccc1OC(CO)C(O)c1ccc(OC)c(OC)c1 COc1ccccc1OC(CO)C(O)c1ccc(OC)c(OC)c1 is A idol that is propane-1,3-diol substituted by a 3,4-dimethoxyphenyl group at position 1 and a 2-methoxyphenoxy group at position 2 respectively. Its functional parent is veratryl glycerol . It is also related to or classified as diol  . It is also related to or classified as dimethoxybenzene .
The molecule COc1cc(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O COc1cc(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O is A monosaccharide derivative that is vanillyl alcohol attached to a beta-D-glucopyranosyl residue at position 1. Its functional parent is vanillyl alcohol . It is also related to or classified as guaiacols  . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as monosaccharide derivative .
The molecule COc1cc(cc(OC)c1OC(C)=O)C1OCC2C1COC2c1cc(OC)c(OC(C)=O)c(OC)c1 COc1cc(cc(OC)c1OC(C)=O)C1OCC2C1COC2c1cc(OC)c(OC(C)=O)c(OC)c1 is A lignin that is the diacetate ester of syringylresinol. It is also related to or classified as acetate ester  . It is also related to or classified as syringaresinol  .  It is also related to or classified as lignan  . It is also related to or classified as dimethoxybenzene .
The molecule COc1ccc(cc1OC)C(O)C(O)CO COc1ccc(cc1OC)C(O)C(O)CO is A trial that is glycerol substituted by a 3,4-dimethoxyphenyl group at position 1. Its functional parent is glycerol . It is also related to or classified as triol , dimethoxybenzene .
The molecule COCc1ccc(OC)c(OC)c1 COCc1ccc(OC)c(OC)c1 is A dimethoxybenzene that is the methyl ether derivative of veratryl alcohol. Its functional parent is (3,4-dimethoxyphenyl)methanol . It is also related to or classified as dimethoxybenzene .
The molecule CCCCCCCCC\C=C\[C@@H](O)[C@H](COP(O)(=O)OCCN)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC CCCCCCCCC\C=C\[C@@H](O)[C@H](COP(O)(=O)OCCN)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC is A ceramide phosphoethanolamine (38:2) in which the acyl and the sphingoid base specified is (15Z)-tetracosenoyl and tetradecasphing-4-enine respectively. Its functional parent is (15Z)-tetracosenoic acid . It is also related to or classified as N-acyltetradecasphingosine-1-phosphoethanolamine  . It is also related to or classified as ceramide phosphoethanolamine (38:2)  .
The molecule COc1ccccc1OC(CO)C(=O)c1ccc(OC)c(OC)c1 COc1ccccc1OC(CO)C(=O)c1ccc(OC)c(OC)c1 is an aromatic ketone that is propanone substituted by a 3,4-dimethoxyphenyl group at position 1, a hydroxy group at position 3 and a 2-methoxyphenoxy group at position 2 respectively. It is also related to or classified as primary alcohol  . It is also related to or classified as dimethoxybenzene , aromatic ketone .
The molecule CC(C)CCC[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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 CC(C)CCC[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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 is the 2R stereoisomer of 2,6-dimethylheptanoyl-CoA. It is a conjugate acid of (2R)-2,6-dimethylheptanoyl-CoA(4-) . It is also related to or classified as 2,6-dimethylheptanoyl-CoA  .
The molecule O[C@H]1[C@H](Oc2cc(O)cc(\C=C/c3ccc(O)cc3)c2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O O[C@H]1[C@H](Oc2cc(O)cc(\C=C/c3ccc(O)cc3)c2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O is A stilbenol that is cis-resveratrol attached to a beta-D-glucopyranosiduronic acid residue at position 3 via a glycosidic linkage. It has the role of mouse metabolite . It has the role of human metabolite . Its functional parent is cis-resveratrol .  It is also related to or classified as stilbenol  . It is also related to or classified as beta-D-glucosiduronic acid .
The molecule CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCC CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCC is A diacylglycerol 34:0 in which the acyl groups specified at positions 1 and 2 are hexadecanoyl and octadecanoyl respectively. Its functional parent is hexadecanoic acid . Its functional parent is octadecanoic acid .  It is also related to or classified as 1,2-diacyl-sn-glycerol  . It is also related to or classified as DG(18:0/16:0) .
The molecule CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC\C=C/C\C=C/CCCCC CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC\C=C/C\C=C/CCCCC is A diacylglycerol 38:2 in which the acyl groups specified at positions 1 and 2 are (9Z,12Z)-octadecadienoyl and  icosanoyl respectively. Its functional parent is linoleic acid . Its functional parent is icosanoic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  . It is also related to or classified as diacylglycerol 38:2  .
The molecule COc1ccccc1OC(COC(C)=O)C(=O)c1ccc(OC)c(OC)c1 COc1ccccc1OC(COC(C)=O)C(=O)c1ccc(OC)c(OC)c1 is an acetate ester obtained by the formal condensation of the hydroxy group of veratrone with acetic acid. Its functional parent is veratrone . It is also related to or classified as acetate ester  . It is also related to or classified as dimethoxybenzene , aromatic ketone .
The molecule Cc1nc(CCC2OC(=O)C2CCCCCCCC=C)cs1 Cc1nc(CCC2OC(=O)C2CCCCCCCC=C)cs1 is A beta-lactone carrying non-8-en-1-yl and 2-(2-methyl-1,3-thiazol-4-yl)ethyl substituents at positions 3 and 4 respectively. It is also related to or classified as 1,3-thiazoles , beta-lactone , olefinic compound .
The molecule CC(C)CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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 CC(C)CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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 is the 2S stereoisomer of 2,6-dimethylheptanoyl-CoA(4-). It is also related to or classified as 2,6-dimethylheptanoyl-CoA(4-)  .
The molecule CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC\C=C/CCCC CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC\C=C/CCCC is A diacylglycerol 34:5 in which the acyl groups specified at positions 1 and 2 are (9Z)-tetradecenoyl and (5Z,8Z,11Z,14Z)-icosatetraenoyl respectively. Its functional parent is arachidonic acid . Its functional parent is myristoleic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  . It is also related to or classified as diacylglycerol 34:5  .
The molecule O(C([O-])=O)P([O-])(=O)O O(C([O-])=O)P([O-])(=O)O is A organophosphate oxoanion obtained by deprotonation of the carboxy and one of the phosphate OH groups of carboxyphosphoric acid. It is also related to or classified as organophosphate oxoanion .
The molecule C[NH2+]CC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1 C[NH2+]CC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1 is an organic cation resulting from the protonation of the amino group of (S)-fluoxetine. It is a conjugate acid of (S)-fluoxetine . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule C[NH2+]CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1 C[NH2+]CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1 is an organic cation resulting from the protonation of the amino group of (R)-fluoxetine. It is a conjugate acid of (R)-fluoxetine . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule CC(C)CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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 CC(C)CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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 is the 2S stereoisomer of 2,6-dimethylheptanoyl-CoA. It is a conjugate acid of (2S)-2,6-dimethylheptanoyl-CoA(4-) . It is also related to or classified as 2,6-dimethylheptanoyl-CoA  .
The molecule CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](OC[C@H]4O[C@H](O)[C@H](NC(C)=O)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@]6(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O6)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]5O)[C@H]4O)[C@H](NC(C)=O)[C@H]3O)[C@@H]2O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](OC[C@H]4O[C@H](O)[C@H](NC(C)=O)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@]6(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O6)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]5O)[C@H]4O)[C@H](NC(C)=O)[C@H]3O)[C@@H]2O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O is alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)]-D-GalpNAc in which the anomeric configuration of the GalNAc residue at the reducing end is alpha. It is also related to or classified as alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)]-D-GalpNAc  .
The molecule O(C(O)=O)P(O)(=O)O O(C(O)=O)P(O)(=O)O is an acyclic mixed acid anhydride formed by condensation of phosphoric acid with carbonic acid. It is a conjugate acid of carboxyphosphate(2-) . It is also related to or classified as organic phosphate , acyclic mixed acid anhydride , one-carbon compound .
The molecule CCCCCCCCCC(=O)OCCC CCCCCCCCCC(=O)OCCC is A decanoate ester obtained by the formal condensation of carboxy group of decanoic acid with propanol. It has the role of Saccharomyces cerevisiae metabolite . Its functional parent is propan-1-ol . Its functional parent is decanoic acid . It is also related to or classified as decanoate ester  .
The molecule [O-][N+](=O)c1ccc2C=CS(=O)(=O)c2c1 [O-][N+](=O)c1ccc2C=CS(=O)(=O)c2c1 is A member of the class of 1-benzothiophenes that is 1-benzothiophene-1,1-dioxide substituted at position 6 by a nitro group. Used as a radiosensitising agent for esophageal squamous cell carcinoma. It has the role of radiosensitizing agent . It has the role of antineoplastic agent . It has the role of STAT3 inhibitor .  It is also related to or classified as sulfone  . It is also related to or classified as C-nitro compound , 1-benzothiophenes .
The molecule CC(C)CCC[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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 CC(C)CCC[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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 is the 2R stereoisomer of 2,6-dimethylheptanoyl-CoA(4-). It is also related to or classified as 2,6-dimethylheptanoyl-CoA(4-)  .
The molecule CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[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@@]4(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O4)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]3O)[C@H]2NC(C)=O)[C@H](O)[C@@H]1O CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[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@@]4(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O4)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]3O)[C@H]2NC(C)=O)[C@H](O)[C@@H]1O is A linear amino tetrasaccharide comprised of N-acetyl-alpha-neuraminyl, beta-D-galactosyl, N-acetyl-beta-D-glucosaminyl and N-acetyl-alpha-D-galactosamine residues linked sequentially (2->3), (1->3) and (1->6). It is also related to or classified as galactosamine oligosaccharide , glucosamine oligosaccharide , amino tetrasaccharide .
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](COS(O)(=O)=O)[C@H]2O[C@@H]2O[C@H](CO)[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](O)O[C@H](COS(O)(=O)=O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O is beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-D-Glcp6S in which the anomeric configuration of the glucose residue is beta. It is also related to or classified as beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-D-Glcp6S  .
The molecule C[C@@H](O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]2CO)[C@@H]1NC(C)=O)C(O)=O C[C@@H](O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]2CO)[C@@H]1NC(C)=O)C(O)=O is an amino disaccharide comprising an N-acetyl-beta-muramyl residue linked (1->4) to N-acetyl-beta-D-glucosamine. It is also related to or classified as amino disaccharide .
The molecule O.O.O.O=[V++].[O-]S([O-])(=O)=O O.O.O.O=[V++].[O-]S([O-])(=O)=O is A hydrate that is the trihydrate form of vanadyl sulfate. It has the role of hypoglycemic agent . It has the role of EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor . It is also related to or classified as vanadyl sulfate hydrate .
The molecule O.O.O.O.O.O.O=[V++].[O-]S([O-])(=O)=O O.O.O.O.O.O.O=[V++].[O-]S([O-])(=O)=O is A vanadyl sulfate hydrate containing six water molecules. It is also related to or classified as vanadyl sulfate hydrate .
The molecule O.O.O=[V++].[O-]S([O-])(=O)=O O.O.O=[V++].[O-]S([O-])(=O)=O is A hydrate that is the dihydrate form of vanadyl sulfate. It is also related to or classified as vanadyl sulfate hydrate .
The molecule CC(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc12 CC(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc12 is the acetate ester, with S configuration, of licarbazepine. An anticonvulsant, it is approved for use in Europe and the United States as an adjunctive therapy for epilepsy. It has the role of anticonvulsant . It has the role of drug allergen . Its functional parent is licarbazepine . It is also related to or classified as carboxamide  . It is also related to or classified as acetate ester  . It is also related to or classified as dibenzoazepine  . It is also related to or classified as ureas .
The molecule CCCCCCCCCCCCc1c(O)cc(C)cc1OC(=O)C=CC=CC=CC=CC=CC=CC=CC=Cc1ccc(O)c(C)c1 CCCCCCCCCCCCc1c(O)cc(C)cc1OC(=O)C=CC=CC=CC=CC=CC=CC=CC=Cc1ccc(O)c(C)c1 is the parent member of the class of flexirubins obtained by formal condensation of the carboxy group of 17-(4-hydroxy-3-methylphenyl)heptadeca-2,4,6,8,10,12,14,16-octaenoic acid with one of the phenolic hydroxy groups of 2-dodecyl-5-methyl resorcinol. It is also related to or classified as flexirubins .
The molecule CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(CO)[C@@H]1CC3 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(CO)[C@@H]1CC3 is A 3beta-sterol that is 5alpha-cholest-8-en-3beta-ol carrying hydroxymethyl and methyl substituents at position 4. It has the role of human metabolite . It is also related to or classified as 3beta-sterol  . It is also related to or classified as cholestanoid .
The molecule CO[C@@H]1CO[C@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3O[C@H](CN)C[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@H]1N CO[C@@H]1CO[C@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3O[C@H](CN)C[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@H]1N is an aminoglycoside antibiotic that is part of an antimicrobial complex consisting of factors 1,2,3,5 from a soil isolate named Streptomyces hofunensis. It has the role of antimicrobial drug . It has the role of bacterial metabolite . It is also related to or classified as amino cyclitol glycoside , aminoglycoside antibiotic .
The molecule CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@](C)([C@@H]1CC3)C(O)=O CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@](C)([C@@H]1CC3)C(O)=O is A 3beta-sterol that is 5alpha-cholest-8-en-3beta-ol carrying carboxy and methyl substituents at position 4. It has the role of human metabolite . It is a conjugate acid of 3beta-hydroxy-4beta-methyl-5alpha-cholest-8-ene-4alpha-carboxylate . It is also related to or classified as 3beta-sterol  . It is also related to or classified as steroid acid , cholestanoid .
The molecule CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(C=O)[C@@H]1CC3 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(C=O)[C@@H]1CC3 is A 3beta-sterol that is 5alpha-cholest-8-en-3beta-ol carrying formyl and methyl substituents at position 4. It has the role of human metabolite . It is also related to or classified as 3beta-hydroxy-4alpha-formyl-4beta-methylsteroid  . It is also related to or classified as cholestanoid .
The molecule CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@](C)([C@@H]1CC3)C([O-])=O CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@](C)([C@@H]1CC3)C([O-])=O is A steroid acid anion that is the conjugate base of 3beta-hydroxy-4beta-methyl-5alpha-cholest-8-ene-4alpha-carboxylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has the role of human metabolite . It is also related to or classified as steroid acid anion .
The molecule CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@H]1[C@@H](OP([O-])([O-])=O)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](OP([O-])([O-])=O)[C@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@H]2NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@H]1[C@@H](OP([O-])([O-])=O)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](OP([O-])([O-])=O)[C@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@H]2NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC is an lipid IVA oxoanion arising from deprotonation of the phosphate OH groups of lipid IVB; major species at pH 7.3. It is also related to or classified as a lipid IVB(4-)  . It is also related to or classified as lipid IVA oxoanion .