anonymous041/ChEBI-Augmented huggingface dataset:
The molecule COc1cc(ccc1O)C(O)C(O)CO COc1cc(ccc1O)C(O)C(O)CO is A compound made up of a guaiacyl core with an alpha-glyceryl substituent para to the aromatic hydroxy group. Its functional parent is glycerol . It is also related to or classified as guaiacols  .  It is also related to or classified as aromatic alcohol  . It is also related to or classified as tetrol .
The molecule O=C(N[C@H]([C@H](O)[C@H](O)CCCCCCCCCCCCCC)CO)[C@H](O)CCCCCCCCCCCCCCCCCCCC O=C(N[C@H]([C@H](O)[C@H](O)CCCCCCCCCCCCCC)CO)[C@H](O)CCCCCCCCCCCCCCCCCCCC is (2S, 3S, 4R)-2-[(2'R)-2'-hydroxydocosanoylamino]-1, 3, 4-octadecanetriol. It is also related to or classified as N-acylphytosphingosine  .
The molecule C1CC=C(C1)C2=CC=C(C=C2)[C@@H]3[C@@H]4CNCC(=O)N4[C@H]3CO C1CC=C(C1)C2=CC=C(C=C2)[C@@H]3[C@@H]4CNCC(=O)N4[C@H]3CO is (6R,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CCCCCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F is a fluoroalkane that is hexadecane in which all of the hydrogen atoms at positions 1, 2, 3, 4, 5, and 6 have been replaced by fluorine atoms. It has a role as a nonionic surfactant. It is a fluorohydrocarbon and a fluoroalkane. It derives from a hydride of a hexadecane.
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)C(O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[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](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)C(O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[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](O)[C@H](O)[C@@H]1O is A branched pentasaccharide consisting of an D-GlcNAc residue at the reducing end with a beta-D-Xyl(1->2)-beta-D-Man(1->4)-beta-D-GlcNAc moiety attached via a beta-(1->4)-linkage and a D-Fuc residue attached via an alpha-(1->3)-linkage. It is also related to or classified as glucosamine oligosaccharide , amino pentasaccharide .
The molecule COC1=CC=CC=C1/C(=N/CC2(CCCC2)C3=CC=CC=C3)/O COC1=CC=CC=C1/C(=N/CC2(CCCC2)C3=CC=CC=C3)/O is 2-methoxy-N-[(1-phenylcyclopentyl)methyl]benzamide. It has the role of potassium channel blocker . It is also related to or classified as organic molecular entity .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)N is a fatty amide derived from oleic acid. It has a role as a human metabolite and a plant metabolite.
The molecule N[C@@H](Cc1ccc(Oc2ccc(OS(O)(=O)=O)c(I)c2)c(I)c1)C(O)=O N[C@@H](Cc1ccc(Oc2ccc(OS(O)(=O)=O)c(I)c2)c(I)c1)C(O)=O is 3,3'-diiodo-L-thyronine sulfate. Its functional parent is 3,3'-diiodo-L-thyronine . It is also related to or classified as O-sulfoamino acid , aryl sulfate .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]2[C@@H]([C@@H]([C@H](C(O2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)NC(=O)C)O)CO)O)O is a branched amino tetrasaccharide that is D-galactopyranose which has been glycosylated at positions 3 and 6 by beta-D-galactopyranosyl-(1->4)-2-acetamido-beta-D-glucopyranosyl and 2-acetamido-beta-D-glucopyranosyl groups, respectively.
The molecule C[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O C[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O is A 2-deoxy-D-galactoside consisting of N-acetyl-D-galactosamine attached to L-fucitol via an alpha-(1->2)-linkage. It is also related to or classified as 2-deoxy-D-galactoside , disaccharide derivative .
The molecule CCCCCCCCCCCCCCCCCC(O)CCC CCCCCCCCCCCCCCCCCC(O)CCC is A secondary fatty alcohol that is henicosane substituted by a hydroxy group at position 4. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as henicosanol .
The molecule O=C1O[C@@H](CC(=O)O[C@@H](CC(=O)O[C@@H](CC=2C=C(O)C=C(C2C(O[C@@H](CC(O[C@@H](CC=3C1=C(O)C=C(OC)C3)C)=O)C)=O)O)C)C)C O=C1O[C@@H](CC(=O)O[C@@H](CC(=O)O[C@@H](CC=2C=C(O)C=C(C2C(O[C@@H](CC(O[C@@H](CC=3C1=C(O)C=C(OC)C3)C)=O)C)=O)O)C)C)C is Calcaride A. Its functional parent is hexacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule C1=CC=C(C(=C1)C(=O)O)S is a sulfanylbenzoic acid that is the 2-sulfanyl derivative of benzoic acid. It has a role as a non-narcotic analgesic and an antipyretic. It is a conjugate acid of a thiosalicylate(1-).
The molecule C(C(C(C)(C(=O)[O-])O)C(=O)[O-])C(=O)[O-] C(C(C(C)(C(=O)[O-])O)C(=O)[O-])C(=O)[O-] is A tricarboxylic acid trianion resulting from the deprotonation of all three carboxy groups of 3-hydroxybutane-1,2,3-tricarboxylic acid; major microspecies at pH 7.3. It is also related to or classified as tricarboxylic acid trianion .
The molecule CCCCCCCCCCCC(CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=O)CC(CCCCCCCCCCC)O)O is a nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of UDP-2,3-bis(3-hydroxytetradecanoyl)-D-glucosamine; major species at pH 7.3. It is a conjugate base of an UDP-2,3-bis(3-hydroxytetradecanoyl)-D-glucosamine.
The molecule CC1CCC2C(C)=COC(C12)=O CC1CCC2C(C)=COC(C12)=O is nepetalactone. It has the role of insect repellent . It is also related to or classified as iridoid monoterpenoid .
The molecule CCCCCCCCCCCCCCC(O)CCCCC CCCCCCCCCCCCCCC(O)CCCCC is A secondary fatty alcohol that is icosane substituted by a hydroxy group at position 6. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as icosanol .
The molecule O=C1C(OC)=C(NCCCC(=O)O)C[C@](C1)(O)CO O=C1C(OC)=C(NCCCC(=O)O)C[C@](C1)(O)CO is Mycosporine-GABA. Its functional parent is gamma-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC/C=C\\C/C=C\\C=C\\C(C/C=C\\C/C=C\\C/C=C\\CCC(=O)[O-])O is a hydroxy polyunsaturated fatty acid anion that is the conjugate base of 13-HDoHE arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It has a role as a human xenobiotic metabolite and a mouse metabolite. It is a hydroxy fatty acid anion, a long-chain fatty acid anion, a polyunsaturated fatty acid anion and a hydroxydocosahexaenoate. It is a conjugate base of a (4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoic acid.
The molecule Cl[Cd]Cl Cl[Cd]Cl is A cadmium coordination entity in which cadmium(2+) and Cl(-) ions are present in the ratio 2:1. Although considered to be ionic, it has considerable covalent character to its bonding. It is also related to or classified as cadmium coordination entity .
The molecule C=1(C=CC(=CC1)OC)C(CN2C=[NH+]C=C2)OCCCC3=CC=C(C=C3)OC C=1(C=CC(=CC1)OC)C(CN2C=[NH+]C=C2)OCCCC3=CC=C(C=C3)OC is an organic cation obtained by protonation of the imidazole group of SKF-96365 free base. It is a conjugate acid of SKF-96365  free base . It is also related to or classified as organic cation .
The molecule C1=CC(=CC=C1C(=N)N)OCCCOC2=CC=C(C=C2)C(=N)N is a polyether that is the bis(4-guanidinophenyl) ether of propane-1,3-diol. Used (as its isethionate salt) for the treatment of minor eye or eyelid infections, such as conjunctivitis and blepharitis. It has a role as an antimicrobial agent and an antiseptic drug. It is a member of guanidines, an aromatic ether and a polyether. It derives from a propane-1,3-diol. It is a conjugate base of a propamidine(2+).
The molecule FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F is perfluorooctane. It is also related to or classified as fluoroalkane  . It is also related to or classified as fluorocarbon  .
The molecule O(C1=C(C(OC([H])([H])[H])=C(C(=C1[H])/C(=C(/C2=C(C(O[H])=C(O[H])C(=C2[H])[H])[H])\[H])/[H])[H])\C(=C(\C(C([H])([H])[H])(C([H])([H])[H])[H])/[H])\[H])C([H])([H])[H] O(C1=C(C(OC([H])([H])[H])=C(C(=C1[H])/C(=C(/C2=C(C(O[H])=C(O[H])C(=C2[H])[H])[H])\[H])/[H])[H])\C(=C(\C(C([H])([H])[H])(C([H])([H])[H])[H])/[H])\[H])C([H])([H])[H] is polysaccharides containing hexose and pentose sugars and uronic acids, is secreted by root cells as the root grows through the soil. It is also related to or classified as polysaccharide  .
The molecule O[C@@H]1[C@@]23N(C(=N[C@H]([C@@H]2N=C(N3)N)CO)N)CC1 O[C@@H]1[C@@]23N(C(=N[C@H]([C@@H]2N=C(N3)N)CO)N)CC1 is 12alpha-Deoxy-decarbamoylsaxitoxin. It has the role of marine metabolite . It is also related to or classified as organic heterotricyclic compound .
The molecule C(=S)(S)[S-] is a thiocarbonyl compound. It is a conjugate base of a carbonotrithioic acid. It is a conjugate acid of a trithiocarbonate.
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCC/C=C\\CCCCCCCC is a 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) obtained by deprotonation of the phosphate OH group of 1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-D-myo-inositol. It is a 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-), a phosphatidylinositol 34:1(1-) and a 1-acyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol(1-). It is a conjugate base of a 1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-D-myo-inositol.
The molecule C[C@@H]1OC(O[C@@H]2[C@@H](NC(C)=O)C(O[C@H](CO)[C@H]2OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@H]([C@H](CO)NC(C)=O)[C@@H](O)[C@H](O)COC2O[C@H](CO)[C@@H](OC3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1OC(O[C@@H]2[C@@H](NC(C)=O)C(O[C@H](CO)[C@H]2OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@H]([C@H](CO)NC(C)=O)[C@@H](O)[C@H](O)COC2O[C@H](CO)[C@@H](OC3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O is an oligosaccharide derivative consisting of -D-GalNAc-ol at the reducing end with a D-GalNAc-(1->4)-D-GlcNAc moiety attached via a (1->6)-linkage and a [D-GalNAc-(1->4)-[L-Fuc-(1->3)]-D-GlcNAc] moiety attached via a (1->3)-linkage. It has the role of carbohydrate allergen . It is also related to or classified as oligosaccharide derivative .
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 (6R,7R,8S)-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 C1CN(CCC1C2=CC=NC=C2)C(=O)C3=NOC(=C3)COC4=C(C=C(C=C4)F)Cl is an N-acylpiperidine obtained by formal condensation of the carboxy group of 5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid with the secondary amino group of 4-(pyridin-4-yl)piperidine It has a role as a P450 inhibitor. It is a N-acylpiperidine, an aromatic amide, an aromatic ether, a member of isoxazoles, a member of pyridines, a member of monochlorobenzenes and a member of monofluorobenzenes.
The molecule CCCCCCCCCCCCC(O)CCCCCCCCCC CCCCCCCCCCCCC(O)CCCCCCCCCC is A secondary fatty alcohol that is tricosane substituted by a hydroxy group at position 11. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as tricosanol .
The molecule C1CCC(CC1)NC(=O)N2[C@H]([C@H]([C@@H]2C#N)C3=CC=C(C=C3)C4=CCCCC4)CO C1CCC(CC1)NC(=O)N2[C@H]([C@H]([C@@H]2C#N)C3=CC=C(C=C3)C4=CCCCC4)CO is (2R,3S,4R)-2-cyano-3-[4-(1-cyclohexenyl)phenyl]-N-cyclohexyl-4-(hydroxymethyl)-1-azetidinecarboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule O=C(OCC)C1=C(O)C(=C(OCC)C=C1C)C O=C(OCC)C1=C(O)C(=C(OCC)C=C1C)C is Ethyl 4-ethoxy-2-hydroxy-3,6-dimethylbenzoate. 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 CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC is a phosphatidylcholine 30:0 in which the phosphatidyl acyl groups at positions 1 and 2 are palmitoyl (hexadecanoyl) and myristoyl (tetradecanoyl) respectively. It is a phosphatidylcholine 30:0 and a tetradecanoate ester. It derives from a 1-hexadecanoyl-sn-glycero-3-phosphocholine.
The molecule CC(=O)N[C@@H](CO)[C@@H](OC1O[C@H](CO)[C@@H](OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](O)[C@H](O)CO CC(=O)N[C@@H](CO)[C@@H](OC1O[C@H](CO)[C@@H](OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@@H](O)[C@H](O)CO is an amino disaccharide compound consisting of N-acetyl-D-galactosaminyl-(1->4)-N-acetyl-D-galactosamine attached to N-acetyl-D-galactosaminitol via a (1->3)-linkage. It is also related to or classified as amino disaccharide .
The molecule [NH4+].[NH4+].[O-]S(=O)(=S)[O-] is an inorganic ammonium salt composed of ammonium and thiosulfate ions in a 2:1 ratio. It is used in the leaching of gold and silver, as a fertilizer and as a photographic fixing salt. It has a role as a fertilizer, a herbicide safener, a bleaching agent and a reducing agent. It contains a thiosulfate(2-).
The molecule [O-]Br=O [O-]Br=O is A monovalent inorganic anion obtained by deprotonation of bromous acid. It is also related to or classified as bromine oxoanion , monovalent inorganic anion .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)OS(=O)(=O)O)O)O)O is an amino pentasacchride comprising a chain of 3-O-sulfo-beta-D-glucuronic acid, beta-D-galactose, N-acetyl-beta-D-glucosamine, beta-D-galactose and D-glucose residues linked sequentially (1->3), (1->4), (1->3) and (1->4). It is an amino pentasaccharide and a glucosamine oligosaccharide.
The molecule CC(=O)N[C@@H](CO)[C@@H](OC1O[C@H](CO)[C@@H](OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1NC(C)=O)[C@@H](O)[C@H](O)CO CC(=O)N[C@@H](CO)[C@@H](OC1O[C@H](CO)[C@@H](OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1NC(C)=O)[C@@H](O)[C@H](O)CO is an amino tetrasaccharide consisting of a D-GalNAc-(1->3)-[D-GalNAc-(1->4)]-D-GalNAc moiety attached to N-acetyl-D-galactosaminitol via a (1->3)-linkage. It has the role of carbohydrate allergen . It is also related to or classified as amino tetrasaccharide .
The molecule CCCCCCCCCCCCCCCCC(O)CCCC CCCCCCCCCCCCCCCCC(O)CCCC is A secondary fatty alcohol that is henicosane substituted by a hydroxy group at position 5. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as henicosanol .
The molecule CC(C)N=c1cc2n(-c3ccc(Cl)cc3)c3ccccc3nc2cc1Nc1ccc(Cl)cc1 CC(C)N=c1cc2n(-c3ccc(Cl)cc3)c3ccccc3nc2cc1Nc1ccc(Cl)cc1 is 3-Isopropylimino-3,5-dihydro-phenazine in which the hydrogen at position 5 is substituted substituted by a 4-chlorophenyl group, and that at position 2 is substituted by a (4-chlorophenyl)amino group. A dark red crystalline solid, clofazimine is an antimycobacterial and is one of the main drugs used for the treatment of  multi-bacillary leprosy. However, it can cause red/brown discolouration of the skin, so other treatments are often preferred in light-skinned patients. It has the role of non-steroidal anti-inflammatory drug . It has the role of leprostatic drug . It has the role of dye . It is also related to or classified as phenazines , monochlorobenzenes .
The molecule O=C1N[C@H](C(=O)N[C@H]1[C@H](CC)C)C O=C1N[C@H](C(=O)N[C@H]1[C@H](CC)C)C is Cyclo(Ala-Ile). Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule S=C=Nc1cccc2ccccc12 S=C=Nc1cccc2ccccc12 is 1-naphthyl isothiocyanate. It has the role of insecticide . It is also related to or classified as isothiocyanate  .
The molecule C=1(C=CC(=CC1)OC)C(CN2C=NC=C2)OCCCC3=CC=C(C=C3)OC C=1(C=CC(=CC1)OC)C(CN2C=NC=C2)OCCCC3=CC=C(C=C3)OC is an ether that is 2-(1H-imidazol-1-yl)-1-(4-methoxyphenyl)ethanol in which the hydrogen of the hydroxy group has been substituted by a 3-(4-methoxyphenyl)propyl group. It has the role of TRP channel blocker .   It is also related to or classified as ether  . It is also related to or classified as imidazoles , monomethoxybenzene .
The molecule C[C@H](CCCC(C)CO)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCC(=O)C4)C)O)O)C is a 7alpha-hydroxy steroid, a 12alpha-hydroxy steroid, a 26-hydroxy steroid and a 3-oxo-5beta-steroid. It has a role as a bile acid metabolite. It derives from a hydride of a 5beta-cholestane.
The molecule CC(=O)N[C@H]1[C@@H](O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@@H]1O CC(=O)N[C@H]1[C@@H](O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@@H]1O is A beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc having beta-configuration at the reducing end anomeric centre. It is also related to or classified as beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc  .
The molecule CCCCCCCCCC(O)CCCCCCCCC CCCCCCCCCC(O)CCCCCCCCC is A secondary fatty alcohol that is nonadecane substituted by a hydroxy group at position 10. It has the role of plant metabolite . It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as nonadecanol .
The molecule CC(C(=O)O)C(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C is an O-acyl-L-carnitine in which the acyl group specified is methylmalonyl. It has a role as a metabolite. It derives from a methylmalonic acid.
The molecule S1C(=NC=C1)[C@]2(N=C([C@]3(N=C([C@]4(N=C(C(C)C)SC4)C)SC3)C)SC2)C S1C(=NC=C1)[C@]2(N=C([C@]3(N=C([C@]4(N=C(C(C)C)SC4)C)SC3)C)SC2)C is Mirabazole C. It is also related to or classified as organosulfur compound , organonitrogen compound , heterocyclic compound .
The molecule C=1(C=CC(=CC1)OC)C(CN2C=NC=C2)OCCCC3=CC=C(C=C3)OC.[H]Cl C=1(C=CC(=CC1)OC)C(CN2C=NC=C2)OCCCC3=CC=C(C=C3)OC.[H]Cl is the hydrochloride salt of SKF-96365. It is a TRP channel blocker. It has the role of autophagy inducer . It has the role of TRP channel blocker . It has the role of antineoplastic agent . It has the role of calcium channel blocker . It has the role of platelet aggregation inhibitor . It has the role of GABA antagonist . It has the role of apoptosis inducer . It is also related to or classified as hydrochloride .
The molecule CC1=C(C2=CC=CC=C2C(=C1C/C=C(\\C)/CC/C=C(\\C)/CC/C=C(\\C)/CC/C=C(\\C)/CC/C=C(\\C)/CCC=C(C)C)O)O is a menaquinol whose structure comprises a 2-methylbenzohydroquinone nucleus and a side chain of six isoprenoid units. It has a role as an electron donor.
The molecule ClC1=C(Cl)C(Cl)=C(O)C(=C1Cl)OC ClC1=C(Cl)C(Cl)=C(O)C(=C1Cl)OC is Tetrachloropyrocatechol methyl ether. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule CCCCCCCCCCCCCC(O)CCCCCC CCCCCCCCCCCCCC(O)CCCCCC is A secondary fatty alcohol that is icosane substituted by a hydroxy group at position 7. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as icosanol .
The molecule C1CC=C(C1)C2=CC=C(C=C2)[C@@H]3[C@@H]4CN(CC(=O)N4[C@@H]3CO)S(=O)(=O)C5=CC=CC(=C5)F C1CC=C(C1)C2=CC=C(C=C2)[C@@H]3[C@@H]4CN(CC(=O)N4[C@@H]3CO)S(=O)(=O)C5=CC=CC(=C5)F is (6R,7R,8S)-7-[4-(1-cyclopentenyl)phenyl]-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C(=C(O)[H])(CCCCCCCCC)[H] C(=C(O)[H])(CCCCCCCCC)[H] is A fatty alcohol 11:1 that is undecanol containing a double bond located at position 1; a minor tautomer of undecanal.  It is also related to or classified as enol  . It is also related to or classified as medium-chain fatty alcohol .
The molecule [H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CSc1ccncc1)C(O)=O [H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CSc1ccncc1)C(O)=O is A cephalosporin with  acetoxymethyl and 2(pyridin-4-ylsulfanyl)acetamido substituents at positions 3 and 7, respectively, of the cephem skeleton. It is used (as its sodium salt) as an antibiotic, being effective against gram-negative and gram-positive organisms. It has the role of antibacterial drug . It is a conjugate acid of cephapirin(1-) . It is also related to or classified as cephalosporin  .
The molecule N1(C(C=CC(=C1)C(=O)N)=O)C([2H])([2H])[2H] N1(C(C=CC(=C1)C(=O)N)=O)C([2H])([2H])[2H] is 1-(methyl-d3)-2-pyridoxone-5-carboxamide. It is also related to or classified as N-methyl-6-pyridone-3-carboxamide  . It is also related to or classified as deuterated compound .
The molecule C/C(=C/C(=O)O)/C=C\\C(=O)O is a dicarboxylic acid that is cis,cis-muconic acid in which the hydrogens at position 3 is substituted by a methyl group. It derives from a cis,cis-muconic acid.
The molecule C(CCCCCCC=C(C(=O)[O-])O)CC C(CCCCCCC=C(C(=O)[O-])O)CC is an unsaturated fatty acid anion obtained by the formal deprotonation of the carboxy group of 2-hydroxydodec-2-enoic acid [the (minor) enol tautomer of 2-oxododecanoic acid]; major microspecies of the enol tautomer at pH 7.3. Its functional parent is dodecanoate .  It is also related to or classified as medium-chain fatty acid anion  . It is also related to or classified as 2-hydroxy fatty acid anion  . It is also related to or classified as hydroxy monounsaturated fatty acid anion .
The molecule [N+]=1(C=CC=C(C1)C(=O)N)C([2H])([2H])[2H] [N+]=1(C=CC=C(C1)C(=O)N)C([2H])([2H])[2H] is 1-methyl nicotinamide-d3. It is also related to or classified as 1-methylnicotinamide  . It is also related to or classified as deuterated compound .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O is a ceramide 1-phosphate that is the N-hexacosanoyl derivative of sphingosine. It derives from a sphingosine and a hexacosanoic acid. It is a conjugate acid of a N-hexacosanoylsphingosine 1-phosphate(2-).
The molecule CCCCCCCCCCCCCCCCC(O)CCCCC CCCCCCCCCCCCCCCCC(O)CCCCC is A secondary fatty alcohol that is docosane substituted by a hydroxy group at position 6. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as docosanol .
The molecule C1CCC(C1)CN2[C@@H]([C@@H]([C@@H]2CO)C3=CC=CC=C3)CNC(=O)C4=CC=NC=C4 C1CCC(C1)CN2[C@@H]([C@@H]([C@@H]2CO)C3=CC=CC=C3)CNC(=O)C4=CC=NC=C4 is N-[[(2S,3S,4R)-1-(cyclopentylmethyl)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-4-pyridinecarboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F is A fluoroalkanoic acid that is perfluorinated decanoic acid. It has the role of xenobiotic . It has the role of environmental contaminant . Its functional parent is decanoic acid . It is also related to or classified as fluoroalkanoic acid .
The molecule O=[N+]([O-])C1=C2C(NC=C2C[C@@H]3N(C(=O)[C@](O)(CC4=CC(O)=C(O)C=C4)N(C3=O)C)C)=CC=C1 O=[N+]([O-])C1=C2C(NC=C2C[C@@H]3N(C(=O)[C@](O)(CC4=CC(O)=C(O)C=C4)N(C3=O)C)C)=CC=C1 is 3,4-Dihydroxyphenyl-thaxtomin A. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [H]C(=[NH2+])NCCSC1=C(N2C(=O)[C@]([H])([C@@H](C)O)[C@@]2([H])C1)C([O-])=O [H]C(=[NH2+])NCCSC1=C(N2C(=O)[C@]([H])([C@@H](C)O)[C@@]2([H])C1)C([O-])=O is zwitterionic form of imipenem having an anionic carboxy group and a protonated methaneimidamido group; major species at pH 7.3. It is also related to or classified as zwitterion  .
The molecule C(C(C(CCCCCCCCC)O)O)(=O)[O-] C(C(C(CCCCCCCCC)O)O)(=O)[O-] is A medium-chain fatty acid anion resulting from the deprotonation of the carboxy group of 2,3-dihydroxydodecanoic acid. Major microspecies at pH 7.3. Its functional parent is dodecanoate . It is also related to or classified as medium-chain fatty acid anion  . It is also related to or classified as 2-hydroxy fatty acid anion  . It is also related to or classified as 3-hydroxy fatty acid anion  .