The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCC</smiles> 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 <smiles>CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> 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 <smiles>COc1ccccc1OC(COC(C)=O)C(=O)c1ccc(OC)c(OC)c1</smiles> <smiles>COc1ccccc1OC(COC(C)=O)C(=O)c1ccc(OC)c(OC)c1</smiles> 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 <smiles>Cc1nc(CCC2OC(=O)C2CCCCCCCC=C)cs1</smiles> <smiles>Cc1nc(CCC2OC(=O)C2CCCCCCCC=C)cs1</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC\C=C/CCCC</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC\C=C/CCCC</smiles> 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 <smiles>O(C([O-])=O)P([O-])(=O)O</smiles> <smiles>O(C([O-])=O)P([O-])(=O)O</smiles> 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 <smiles>C[NH2+]CC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1</smiles> <smiles>C[NH2+]CC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1</smiles> 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 <smiles>C[NH2+]CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1</smiles> <smiles>C[NH2+]CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>O(C(O)=O)P(O)(=O)O</smiles> <smiles>O(C(O)=O)P(O)(=O)O</smiles> 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 <smiles>CCCCCCCCCC(=O)OCCC</smiles> <smiles>CCCCCCCCCC(=O)OCCC</smiles> 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 <smiles>[O-][N+](=O)c1ccc2C=CS(=O)(=O)c2c1</smiles> <smiles>[O-][N+](=O)c1ccc2C=CS(=O)(=O)c2c1</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>O.O.O.O=[V++].[O-]S([O-])(=O)=O</smiles> <smiles>O.O.O.O=[V++].[O-]S([O-])(=O)=O</smiles> 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 <smiles>O.O.O.O.O.O.O=[V++].[O-]S([O-])(=O)=O</smiles> <smiles>O.O.O.O.O.O.O=[V++].[O-]S([O-])(=O)=O</smiles> is A vanadyl sulfate hydrate containing six water molecules. It is also related to or classified as vanadyl sulfate hydrate .


The molecule <smiles>O.O.O=[V++].[O-]S([O-])(=O)=O</smiles> <smiles>O.O.O=[V++].[O-]S([O-])(=O)=O</smiles> is A hydrate that is the dihydrate form of vanadyl sulfate. It is also related to or classified as vanadyl sulfate hydrate .


The molecule <smiles>CC(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc12</smiles> <smiles>CC(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc12</smiles> 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 <smiles>CCCCCCCCCCCCc1c(O)cc(C)cc1OC(=O)C=CC=CC=CC=CC=CC=CC=CC=Cc1ccc(O)c(C)c1</smiles> <smiles>CCCCCCCCCCCCc1c(O)cc(C)cc1OC(=O)C=CC=CC=CC=CC=CC=CC=CC=Cc1ccc(O)c(C)c1</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 .


The molecule <smiles>CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3</smiles> <smiles>CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3</smiles> is A 3-oxo steroid that is 5alpha-cholest-8-en-3-one carrying an additional methyl substituent at position 4alpha. It has the role of human metabolite . It is also related to or classified as 3-oxo steroid  . It is also related to or classified as cholestanoid .


The molecule <smiles>C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]5[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]5CO)O[C@@H]4CO)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)O[C@@H]2CO)[C@@H](O)[C@H](O)[C@@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]5[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]5CO)O[C@@H]4CO)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)O[C@@H]2CO)[C@@H](O)[C@H](O)[C@@H]1O</smiles> is an amino oligosaccharide that is an undecasaccharide in which two tetrasaccharide branches, each formed from fucose, galactose, N-acetylglucosamine and mannose residues linked alpha(1->2), beta(1->4) and beta(1->2) respectively, are linked alpha(1->3) and alpha(1->6) to the mannose residue of a trisaccharide chain consisting of mannose and two N-acetylglucosamine residues all linked beta(1->4) with a beta-configuration of the anomeric carbon of the N-acetylglucosamine residue at the reducing end. It is also related to or classified as glucosamine oligosaccharide , amino oligosaccharide .


The molecule <smiles>Cc1cc(cc(c1N)S([O-])(=O)=O)C(=C1\C=CC(=[NH2+])C(=C1)S([O-])(=O)=O)\c1ccc(N)c(c1)S([O-])(=O)=O</smiles> <smiles>Cc1cc(cc(c1N)S([O-])(=O)=O)C(=C1\C=CC(=[NH2+])C(=C1)S([O-])(=O)=O)\c1ccc(N)c(c1)S([O-])(=O)=O</smiles> is an organosulfonate oxoanion obtained by the removal of two protons from 2-amino-5-[(4-amino-3-sulfophenyl)(4-imino-3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzene-1-sulfonic acid (the free acid form of the biological stain 'acid fuchsin'). It is also related to or classified as organosulfonate oxoanion  .


The molecule <smiles>[C@H]1(OP(=O)(O)O)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](O[C@@H]1CO)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(CCCCCCCCCCCCCCC)=O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O</smiles> <smiles>[C@H]1(OP(=O)(O)O)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](O[C@@H]1CO)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(CCCCCCCCCCCCCCC)=O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O</smiles> is A member of the class of lipid As that is lipid A in which the free OH group on the N-hydroxytetradecanoyl group is carrying a palimitoyl group. It has the role of bacterial metabolite . It is a conjugate acid of palmitoyllipid A(4-) .  It is also related to or classified as hexadecanoate ester  . It is also related to or classified as dodecanoate ester  . It is also related to or classified as tetradecanoate ester  . It is also related to or classified as lipid As .


The molecule <smiles>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](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@H]2NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC</smiles> <smiles>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](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@H]2NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC</smiles> is A lipid A oxoanion arising from deprotonation of the phosphate OH groups of palmitoyllipid A; major species at pH 7.3. It is also related to or classified as an acyl-lipid A(4-)  . It is also related to or classified as lipid A oxoanion .


The molecule <smiles>CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3</smiles> <smiles>CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3</smiles> is A 3beta-sterol that is 5alpha-cholest-8-en-3beta-ol carrying an additional methyl substituent at position 4alpha. 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 <smiles>CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@H]1[C@@H](OP(O)(=O)O[C@H]2OC[C@H](N)[C@H](O)[C@H]2O)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</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@H]1[C@@H](OP(O)(=O)O[C@H]2OC[C@H](N)[C@H](O)[C@H]2O)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</smiles> is A member of the class of lipid As that is lipid IIA in which one of the free OH groups on the two N-hydroxytetradecanoyl groups is carrying a palimitoyl group. Its functional parent is lipid IIA . It is a conjugate acid of lipid IIB(2-) . It is also related to or classified as lipid As .


The molecule <smiles>CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@H]([C@@H]1CC3)C(O)=O</smiles> <smiles>CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@H]([C@@H]1CC3)C(O)=O</smiles> is A 3beta-sterol that is 5alpha-cholest-8-en-3beta-ol carrying an additional carboxy substituent at position 4alpha. It has the role of human metabolite . It is a conjugate acid of 3beta-hydroxy-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 <smiles>CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](CO)[C@@H]1CC3</smiles> <smiles>CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](CO)[C@@H]1CC3</smiles> is A 3beta-sterol that is 5alpha-cholest-8-en-3beta-ol carrying an additional hydroxymethyl substituent at position 4alpha. 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 <smiles>CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C[C@@H]1CC3</smiles> <smiles>CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C[C@@H]1CC3</smiles> is A cholestanoid that is 5alpha-cholest-8-ene substituted at position 3 by an oxo group. It is also related to or classified as 3-oxo steroid  . It is also related to or classified as cholestanoid .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@H]1[C@@H](OP([O-])(=O)O[C@H]2OC[C@H]([NH3+])[C@H](O)[C@H]2O)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</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@H]1[C@@H](OP([O-])(=O)O[C@H]2OC[C@H]([NH3+])[C@H](O)[C@H]2O)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</smiles> is A lipid A oxoanion arising from deprotonation of the phosphate OH groups and protonation of the amino group of lipid IIB; major species at pH 7.3. It is also related to or classified as a lipid IIB(2-)  . It is also related to or classified as lipid A oxoanion .


The molecule <smiles>CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(CO)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3</smiles> <smiles>CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(CO)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3</smiles> is A tetracyclic triterpenoid that is lanost-8-ene carrying two hydroxy substituents at positions 3beta and 30. 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 tetracyclic triterpenoid .


The molecule <smiles>OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12</smiles> <smiles>OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12</smiles> is quetiapine. It has the role of adrenergic antagonist . It has the role of histamine antagonist . It has the role of serotonergic antagonist . It has the role of dopaminergic antagonist . It has the role of second generation antipsychotic . It is also related to or classified as dibenzothiazepine , N-alkylpiperazine , N-arylpiperazine .


The molecule <smiles>CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C=O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3</smiles> <smiles>CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C=O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3</smiles> is A tetracyclic triterpenoid that is lanost-8-ene carrying hydroxy and oxo substituents at positions 3beta and 30 respectively. It has the role of human metabolite . It is also related to or classified as 14alpha-formyl steroid  .  It is also related to or classified as 3beta-sterol  . It is also related to or classified as tetracyclic triterpenoid .


The molecule <smiles>Cc1cc(cc(c1N)S(O)(=O)=O)C(=C1\C=CC(=N)C(=C1)S(O)(=O)=O)\c1ccc(N)c(c1)S(O)(=O)=O</smiles> <smiles>Cc1cc(cc(c1N)S(O)(=O)=O)C(=C1\C=CC(=N)C(=C1)S(O)(=O)=O)\c1ccc(N)c(c1)S(O)(=O)=O</smiles> is an arenesulfonic acid that is 3-[(4-amino-3-methylphenyl)(4-aminophenyl)methylidene]-6-iminocyclohexa-1,4-diene-1-sulfonic acid in which the hydrogens ortho to the amino functions are replaced by phenyl groups. The disodium salt is the biological stain 'acid fuchsin'. It is a conjugate acid of acid fuchsin(2-) . It is also related to or classified as imine  .  It is also related to or classified as primary arylamine  . It is also related to or classified as arenesulfonic acid .


The molecule <smiles>[Na+].[Na+].Cc1cc(cc(c1N)S([O-])(=O)=O)C(=C1\C=CC(=[NH2+])C(=C1)S([O-])(=O)=O)\c1ccc(N)c(c1)S([O-])(=O)=O</smiles> <smiles>[Na+].[Na+].Cc1cc(cc(c1N)S([O-])(=O)=O)C(=C1\C=CC(=[NH2+])C(=C1)S([O-])(=O)=O)\c1ccc(N)c(c1)S([O-])(=O)=O</smiles> is an organic sodium salt that is the disodium salt of 2-amino-5-[(4-amino-3-sulfophenyl)(4-imino-3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzene-1-sulfonic acid. It is used in the Van Gieson method in conjunction with picric acid to demonstrate collagen fibres red, and in Masson's trichrome to colour smooth muscle in contrast to collagen. It has the role of histological dye . It is also related to or classified as organic sodium salt .


The molecule <smiles>[O-]N=C1C(=O)C=Cc2cc(ccc12)S([O-])(=O)=O</smiles> <smiles>[O-]N=C1C(=O)C=Cc2cc(ccc12)S([O-])(=O)=O</smiles> is an organosulfonate oxoanion obtained by deprotonation of the sulfo and hydroxyimino groups of 5-(hydroxyimino)-6-oxo-5,6-dihydronaphthalene-2-sulfonic acid. It is also related to or classified as organosulfonate oxoanion  .


The molecule <smiles>CCN(Cc1cccc(c1)S([O-])(=O)=O)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](CC)Cc1cccc(c1)S([O-])(=O)=O)c1ccc(cc1)S([O-])(=O)=O</smiles> <smiles>CCN(Cc1cccc(c1)S([O-])(=O)=O)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](CC)Cc1cccc(c1)S([O-])(=O)=O)c1ccc(cc1)S([O-])(=O)=O</smiles> is an organosulfonate oxoanion obtained by the removal of two protons from N-ethyl-4-[(4-{ethyl[(3-sulfophenyl)methyl]amino}phenyl)(4-sulfophenyl)methylidene]-N-[(3-sulfophenyl)methyl]cyclohexa-2,5-dien-1-iminium  (the free acid form of the biological stain 'acid green 5'). It is also related to or classified as organosulfonate oxoanion  .


The molecule <smiles>[Na+].[Na+].[Na+].[Fe+3].[O-]N=C1C(=O)C=Cc2cc(ccc12)S([O-])(=O)=O.[O-]N=C1C(=O)C=Cc2cc(ccc12)S([O-])(=O)=O.[O-]N=C1C(=O)C=Cc2cc(ccc12)S([O-])(=O)=O</smiles> <smiles>[Na+].[Na+].[Na+].[Fe+3].[O-]N=C1C(=O)C=Cc2cc(ccc12)S([O-])(=O)=O.[O-]N=C1C(=O)C=Cc2cc(ccc12)S([O-])(=O)=O.[O-]N=C1C(=O)C=Cc2cc(ccc12)S([O-])(=O)=O</smiles> is an organic sodium salt composed of iron(3+), sodium and 5-(oxidoimino)-6-oxo-5,6-dihydronaphthalene-2-sulfonate ions in a 1:1:3 ratio. Used to stain collagen and animal tissue. It has the role of histological dye . It is also related to or classified as iron coordination entity , organic sodium salt .


The molecule <smiles>ON=C1C(=O)C=Cc2cc(ccc12)S(O)(=O)=O</smiles> <smiles>ON=C1C(=O)C=Cc2cc(ccc12)S(O)(=O)=O</smiles> is an arenesulfonic acid that is 5,6-dihydronaphthalene-2-sulfonic acid bearing hydroxyimino and oxo substituents at positions 5 and 6 respectively. The trisodium-iron(3+) salt is the biological stain 'naphthol green B'. It is a conjugate acid of 5-(oxidoimino)-6-oxo-5,6-dihydronaphthalene-2-sulfonate . It is also related to or classified as ketoxime  . It is also related to or classified as naphthalenone , arenesulfonic acid .


The molecule <smiles>C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]2[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)[C@@H]3O)O[C@H](CO)[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</smiles> <smiles>C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]2[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)[C@@H]3O)O[C@H](CO)[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</smiles> is A nine-membered glucosamine oligosaccharide that consists of the disaccharide beta-D-Gal-(1->4)-beta-D-Glc, to the galactose residue of which are attached alpha-L-Fuc-(1->4)-[alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)]-beta-D-GlcNAc and beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc groups at O-3 and O-6 respectively. It is found in human milk. It has the role of human metabolite . It is also related to or classified as glucosamine oligosaccharide , amino nonasaccharide .


The molecule <smiles>CCN(Cc1cccc(c1)S(O)(=O)=O)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](CC)Cc1cccc(c1)S(O)(=O)=O)c1ccc(cc1)S(O)(=O)=O</smiles> <smiles>CCN(Cc1cccc(c1)S(O)(=O)=O)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](CC)Cc1cccc(c1)S(O)(=O)=O)c1ccc(cc1)S(O)(=O)=O</smiles> is the iminium ion derived from acid green 5 (the disodium salt). It is a conjugate acid of acid green 5(2-) . It is also related to or classified as iminium ion .


The molecule <smiles>C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]2[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)[C@@H]3O)O[C@H](CO)[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</smiles> <smiles>C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]2[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)[C@@H]3O)O[C@H](CO)[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</smiles> is an eight-membered glucosamine oligosaccharide that consists of the disaccharide beta-D-Gal-(1->4)-beta-D-Glc, to the glucose residue of which are attached alpha-L-Fuc-(1->4)-[alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)]-beta-D-GlcNAc and beta-D-Gal-(1->4)-beta-D-GlcNAc groups at O-3 and O-6 respectively. It is also related to or classified as glucosamine oligosaccharide , amino octasaccharide .


The molecule <smiles>OC[C@H](COP([O-])([O-])=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> <smiles>OC[C@H](COP([O-])([O-])=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 2-O-(alpha-D-glucosyl)-sn-glycerol 3-phosphate; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .


The molecule <smiles>C[C@H](C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CN)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](C)C(C)(C)[C@@H]3CC[C@@]12C</smiles> <smiles>C[C@H](C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CN)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](C)C(C)(C)[C@@H]3CC[C@@]12C</smiles> is A member of the class of hopanoids that is bacteriohopane-31,32,33,34-tetrol carrying additional methyl and amino substituents at positions 3 and 35 respectively. Isolated from Methylococcus capsulatus. It has the role of bacterial metabolite .   It is also related to or classified as hopanoid  . It is also related to or classified as tetrol , primary amino compound .


The molecule <smiles>C[C@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CN)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]12C</smiles> <smiles>C[C@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CN)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]12C</smiles> is A member of the class of hopanoids that is bacteriohopane-30,31,32,33,34-pentol carrying an additional amino substituent at position 35. Isolated from Methylococcus capsulatus. It has the role of bacterial metabolite . It is also related to or classified as pentol  .  It is also related to or classified as hopanoid  . It is also related to or classified as primary amino compound .


The molecule <smiles>C[C@H](C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CN)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]12C</smiles> <smiles>C[C@H](C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CN)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]12C</smiles> is A member of the class of hopanoids that is bacteriohopane-31,32,33,34-tetrol carrying an additional amino substituent at position 35. Isolated from Methylococcus capsulatus. It has the role of bacterial metabolite .   It is also related to or classified as hopanoid  . It is also related to or classified as tetrol , primary amino compound .


The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H](N)C(O)=O)[C@@H]1NC(C)=O</smiles> <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H](N)C(O)=O)[C@@H]1NC(C)=O</smiles> is an O-glycosyl-L-serine having N-acetyl-beta-D-glucosaminyl-(1->3)-N-acetyl-alpha-D-galactosamine as the glycosyl component. It is also related to or classified as O-glycosyl-L-serine  . It is also related to or classified as disaccharide derivative .


The molecule <smiles>[NH3+]C[C@@H](O)[C@H]1O[C@](O)(C[C@@H](O)[C@H]1O)C([O-])=O</smiles> <smiles>[NH3+]C[C@@H](O)[C@H]1O[C@](O)(C[C@@H](O)[C@H]1O)C([O-])=O</smiles> is an amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 8-amino-3,8-dideoxy-alpha-D-manno-octulosonic acid; major species at pH 7.3. It is also related to or classified as amino-acid zwitterion .


The molecule <smiles>CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\[C@]2(C)O[C@H]2[C@@H]1C</smiles> <smiles>CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\[C@]2(C)O[C@H]2[C@@H]1C</smiles> is A macrolide antibiotic with activity against Neisseria gonorrhoeae, Chlamydia trachomatis, Ureaplasma urealyticum and Mycoplasma hominis. It has the role of bacterial metabolite . It is also related to or classified as aldehyde  .  It is also related to or classified as epoxide  . It is also related to or classified as enone  . It is also related to or classified as macrolide antibiotic , monosaccharide derivative .


The molecule <smiles>CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP([O-])(=O)OP([O-])(=O)OCC[NH3+])[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@H]1OP([O-])([O-])=O</smiles> <smiles>CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP([O-])(=O)OP([O-])(=O)OCC[NH3+])[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@H]1OP([O-])([O-])=O</smiles> is A lipid A oxoanion arising from deprotonation of the phosphate OH groups and protonation of the amino group of lipid A 1-(2-aminoethyl diphosphate); major species at pH 7.3. It is also related to or classified as lipid A 1-(2-aminoethyl diphosphate) oxoanion  . It is also related to or classified as lipid A oxoanion .


The molecule <smiles>[Na+].COc1ccccc1N=Nc1cc(c2ccccc2c1O)S([O-])(=O)=O</smiles> <smiles>[Na+].COc1ccccc1N=Nc1cc(c2ccccc2c1O)S([O-])(=O)=O</smiles> is an organic sodium salt having 4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonate as the counterion. It has the role of dye . It has the role of environmental contaminant . It is also related to or classified as organic sodium salt .


The molecule <smiles>CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP([O-])(=O)OP([O-])(=O)OCC[NH3+])[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@H]1OP([O-])(=O)OP([O-])(=O)OCC[NH3+]</smiles> <smiles>CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP([O-])(=O)OP([O-])(=O)OCC[NH3+])[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@H]1OP([O-])(=O)OP([O-])(=O)OCC[NH3+]</smiles> is A lipid A oxoanion arising from deprotonation of the phosphate OH groups and protonation of the amino groups of lipid A 1,4'-bis(2-aminoethyl diphosphate); major species at pH 7.3. It is also related to or classified as lipid A oxoanion .


The molecule <smiles>COc1ccccc1\N=N\c1cc(c2ccccc2c1O)S([O-])(=O)=O</smiles> <smiles>COc1ccccc1\N=N\c1cc(c2ccccc2c1O)S([O-])(=O)=O</smiles> is an organosulfonate oxoanion obtained by deprotonation of the sulfo group of 4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid. It is also related to or classified as organosulfonate oxoanion  .


The molecule <smiles>OC[C@H](COP(O)(O)=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> <smiles>OC[C@H](COP(O)(O)=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> is A glucosylglycerol phosphate consisting of sn-glycerol 3-phosphate having an alpha-D-glucosyl residue attached at position 2. It is a conjugate acid of 2-O-(alpha-D-glucosyl)-sn-glycerol 3-phosphate(2-) . It is also related to or classified as glucosylglycerol phosphate .


The molecule <smiles>C[C@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CN)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](C)C(C)(C)[C@@H]3CC[C@@]12C</smiles> <smiles>C[C@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CN)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](C)C(C)(C)[C@@H]3CC[C@@]12C</smiles> is A member of the class of hopanoids that is bacteriohopane-30,31,32,33,34-pentol carrying additional methyl and amino substituents at positions 3 and 35 respectively. Isolated from Methylococcus capsulatus. It has the role of bacterial metabolite . It is also related to or classified as pentol  .  It is also related to or classified as hopanoid  . It is also related to or classified as primary amino compound .


The molecule <smiles>Oc1ccc2cc(cc(c2c1\N=N\c1ccccc1)S(O)(=O)=O)S(O)(=O)=O</smiles> <smiles>Oc1ccc2cc(cc(c2c1\N=N\c1ccccc1)S(O)(=O)=O)S(O)(=O)=O</smiles> is A naphthalenesulfonic acid that is naphthalene-1,3-disulfonic acid carrying additional hydroxy and phenyldiazenyl substituents at positions 7 and 8 respectively. The disodium salt is the biological stain 'orange G'. It is a conjugate acid of 7-hydroxy-8-[(E)-phenyldiazenyl]naphthalene-1,3-disulfonate . It is also related to or classified as azobenzenes  . It is also related to or classified as naphthols , naphthalenesulfonic acid .


The molecule <smiles>O[C@H](C=O)[C@H]1O[C@](O)(C[C@@H](O)[C@H]1O)C([O-])=O</smiles> <smiles>O[C@H](C=O)[C@H]1O[C@](O)(C[C@@H](O)[C@H]1O)C([O-])=O</smiles> is A carbohydrate acid anion obtained by deprotonation of the carboxy group of (7R)-6-deoxy-D-manno-oct-7-ulosuronic acid; major species at pH 7.3.  It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as carbohydrate acid anion .


The molecule <smiles>CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP([O-])([O-])=O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@H]1OP([O-])(=O)OP([O-])(=O)OCC[NH3+]</smiles> <smiles>CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP([O-])([O-])=O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@H]1OP([O-])(=O)OP([O-])(=O)OCC[NH3+]</smiles> is A lipid A oxoanion arising from deprotonation of the phosphate OH groups and protonation of the amino group of lipid A 4'-(2-aminoethyl diphosphate); major species at pH 7.3. It is also related to or classified as lipid A 4'-(2-aminoethyl diphosphate) oxoanion  .


The molecule <smiles>COc1ccccc1\N=N\c1cc(c2ccccc2c1O)S(O)(=O)=O</smiles> <smiles>COc1ccccc1\N=N\c1cc(c2ccccc2c1O)S(O)(=O)=O</smiles> is A naphthalenesulfonic acid that is naphthalene-1-sulfonic acid carrying additional hydroxy and (2-methoxyphenyl)diazenyl substituents at positions 4 and 3 respectively. The sodium salt is the biological stain 'acid red 4'. It is a conjugate acid of 4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonate . It is also related to or classified as azobenzenes  . It is also related to or classified as naphthols , aromatic ether , naphthalenesulfonic acid .


The molecule <smiles>O[C@H](C=O)[C@H]1O[C@](O)(C[C@@H](O)[C@H]1O)C(O)=O</smiles> <smiles>O[C@H](C=O)[C@H]1O[C@](O)(C[C@@H](O)[C@H]1O)C(O)=O</smiles> is A ketoaldonic acid obtained by oxidation of the 8-hydroxy group of 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid to the corresponding aldehyde. It is a conjugate acid of (7R)-6-deoxy-D-manno-oct-7-ulosuronate . It is also related to or classified as aldehyde  . It is also related to or classified as ketoaldonic acid .


The molecule <smiles>CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(O)(=O)OP(O)(=O)OCCN)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@H]1OP(O)(=O)OP(O)(=O)OCCN</smiles> <smiles>CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(O)(=O)OP(O)(=O)OCCN)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@H]1OP(O)(=O)OP(O)(=O)OCCN</smiles> is A member of the class of lipid As in which the 1- and 4'-phosphate groups of lipid A are both replaced by 2-aminoethyl diphosphate. It has the role of bacterial metabolite . It is a conjugate acid of lipid A 1,4'-bis(2-aminoethyl diphosphate)(2-) .  It is also related to or classified as tetradecanoate ester  . It is also related to or classified as lipid As .


The molecule <smiles>Oc1cc(cc2cc(c(N=Nc3ccccc3)c(O)c12)S([O-])(=O)=O)S([O-])(=O)=O</smiles> <smiles>Oc1cc(cc2cc(c(N=Nc3ccccc3)c(O)c12)S([O-])(=O)=O)S([O-])(=O)=O</smiles> is an organosulfonate oxoanion resulting from the removal of a proton from both of the sulfo groups of 4,5-dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid. It is also related to or classified as organosulfonate oxoanion  .


The molecule <smiles>CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O</smiles> <smiles>CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O</smiles> is an organic heterotetracyclic compound that is 1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one bearing additional tert-butyl and fluoro substituents at positions 2 and 9 respectively. It has the role of EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor . It is also related to or classified as organofluorine compound  . It is also related to or classified as organic heterotetracyclic compound .


The molecule <smiles>Cc1ccc(N=Nc2c(O)c(cc3cc(ccc23)S(O)(=O)=O)S(O)(=O)=O)c(C)c1</smiles> <smiles>Cc1ccc(N=Nc2c(O)c(cc3cc(ccc23)S(O)(=O)=O)S(O)(=O)=O)c(C)c1</smiles> is A naphthalenesulfonic acid that is naphthalene-2,7-disulfonic acid carrying additional hydroxy and (2,4-dimethylphenyl)diazenyl substituents at positions 3 and 4 respectively. The disodium salt is the biological stain 'acid red 26'. It has the role of carcinogenic agent . It has the role of cardiotoxic agent . It is a conjugate acid of 4-[(2,4-dimethylphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonate . It is also related to or classified as azobenzenes  . It is also related to or classified as naphthols , naphthalenesulfonic acid .


The molecule <smiles>CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP([O-])([O-])=O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@@]2(C[C@@H](O[C@@]3(C[C@@H](O)[C@@H](O)[C@H](O3)[C@@H](CO)OP([O-])(=O)OCC[NH3+])C([O-])=O)[C@@H](O)[C@H](O2)[C@H](O)CO)C([O-])=O)[C@@H](OP([O-])([O-])=O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP([O-])([O-])=O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@@]2(C[C@@H](O[C@@]3(C[C@@H](O)[C@@H](O)[C@H](O3)[C@@H](CO)OP([O-])(=O)OCC[NH3+])C([O-])=O)[C@@H](O)[C@H](O2)[C@H](O)CO)C([O-])=O)[C@@H](OP([O-])([O-])=O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC</smiles> is A lipid IVA oxoanion arising from deprotonation of the phosphate OH groups and protonation of the amino group of 7-O-[(2-aminoethyl)phosphoryl]-alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid IVA; major species at pH 7.3. It is also related to or classified as lipid IVA oxoanion .


The molecule <smiles>CC\C(CC[C@H]1O[C@@]1(C)CC)=C/CC\C(C)=C\C([O-])=O</smiles> <smiles>CC\C(CC[C@H]1O[C@@]1(C)CC)=C/CC\C(C)=C\C([O-])=O</smiles> is A polyunsaturated fatty acid anion that is the conjugate base of juvenile hormone I carboxylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as branched-chain fatty acid anion , polyunsaturated fatty acid anion .


The molecule <smiles>CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(O)(O)=O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@H]1OP(O)(=O)OP(O)(=O)OCCN</smiles> <smiles>CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(O)(O)=O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@H]1OP(O)(=O)OP(O)(=O)OCCN</smiles> is A member of the class of lipid As in which the 4' phosphate group of lipid A is replaced by 2-aminoethyl diphosphate. It is a conjugate acid of lipid A 4'-(2-aminoethyl diphosphate)(3-) .  It is also related to or classified as dodecanoate ester  . It is also related to or classified as tetradecanoate ester  . It is also related to or classified as lipid As .


The molecule <smiles>CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(O)(O)=O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@@]2(C[C@@H](O[C@@]3(C[C@@H](O)[C@@H](O)[C@H](O3)[C@@H](CO)OP(O)(=O)OCCN)C(O)=O)[C@@H](O)[C@H](O2)[C@H](O)CO)C(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(O)(O)=O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@@]2(C[C@@H](O[C@@]3(C[C@@H](O)[C@@H](O)[C@H](O3)[C@@H](CO)OP(O)(=O)OCCN)C(O)=O)[C@@H](O)[C@H](O2)[C@H](O)CO)C(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC</smiles> is A lipid A derivative, comprising lipid IVA glycosylated with two 3-deoxy-D-manno-octulosonic acid (KDO) residues with the terminal KDO carrying a (2-aminoethyl)phosphoryl group at position 7. Its functional parent is lipid IVA . It is a conjugate acid of 7-O-[(2-aminoethyl)phosphoryl]-alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid IVA(6-) . It is also related to or classified as lipid As .


The molecule <smiles>Oc1ccc2cc(cc(c2c1N=Nc1cccc2ccccc12)S([O-])(=O)=O)S([O-])(=O)=O</smiles> <smiles>Oc1ccc2cc(cc(c2c1N=Nc1cccc2ccccc12)S([O-])(=O)=O)S([O-])(=O)=O</smiles> is an organosulfonate oxoanion resulting from the removal of a proton from both of the sulfo groups of 7-hydroxy-8-[(naphthalen-1-yl)diazenyl]naphthalene-1,3-disulfonic acid. It is also related to or classified as organosulfonate oxoanion  .


The molecule <smiles>[Na+].[Na+].Oc1cc(cc2cc(c(N=Nc3ccccc3)c(O)c12)S([O-])(=O)=O)S([O-])(=O)=O</smiles> <smiles>[Na+].[Na+].Oc1cc(cc2cc(c(N=Nc3ccccc3)c(O)c12)S([O-])(=O)=O)S([O-])(=O)=O</smiles> is an organic sodium salt that is the disodium salt of 4,5-dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid. It is used as the plasma stain in trichrome techniques. It has the role of histological dye . It is also related to or classified as organic sodium salt .


The molecule <smiles>CC(C)C[C@@H](O)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</smiles> <smiles>CC(C)C[C@@H](O)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</smiles> is A hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (R)-2-hydroxy-4-methylpentanoic acid. Its functional parent is (R)-2-hydroxy-4-methylpentanoic acid . It is a conjugate acid of (R)-2-hydroxy-4-methylpentanoyl-CoA(4-) . It is also related to or classified as methyl-branched fatty acyl-CoA , hydroxy fatty acyl-CoA , short-chain fatty acyl-CoA .


The molecule <smiles>CC(C)C[C@@H](O)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</smiles> <smiles>CC(C)C[C@@H](O)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</smiles> is A methyl-branched fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (R)-2-hydroxy-4-methylpentanoyl-CoA; major species at pH 7.3. It is also related to or classified as 2-hydroxy-fatty acyl-CoA(4-)  . It is also related to or classified as methyl-branched fatty acyl-CoA(4-) .


The molecule <smiles>Oc1ccc2cc(cc(c2c1N=Nc1cccc2ccccc12)S(O)(=O)=O)S(O)(=O)=O</smiles> <smiles>Oc1ccc2cc(cc(c2c1N=Nc1cccc2ccccc12)S(O)(=O)=O)S(O)(=O)=O</smiles> is A naphthalenesulfonic acid that is naphthalene-1,3-disulfonic acid carrying additional hydroxy and (naphthalen-1-yl)diazenylsubstituents at positions 7 and 8 respectively. The disodium salt is the biological stain 'acid red 44'. It is a conjugate acid of 7-hydroxy-8-[(naphthalen-1-yl)diazenyl]naphthalene-1,3-disulfonate . It is also related to or classified as naphthols , naphthalenesulfonic acid , monoazo compound .


The molecule <smiles>Oc1cc(cc2cc(c(N=Nc3ccccc3)c(O)c12)S(O)(=O)=O)S(O)(=O)=O</smiles> <smiles>Oc1cc(cc2cc(c(N=Nc3ccccc3)c(O)c12)S(O)(=O)=O)S(O)(=O)=O</smiles> is A naphthalenesulfonic acid that is naphthalene-2,7-disulfonic acid carrying two additional hydroxy substituents at positions 4 and 5 as well as a phenyldiazenyl substituent at position 3. The disodium salt is the biological stain 'acid red 29'. It is a conjugate acid of 4,5-dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonate . It is also related to or classified as azobenzenes  . It is also related to or classified as naphthalenediols , naphthalenesulfonic acid .


The molecule <smiles>CC(C)=CC[C@@H](\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)\C=C\C=C(/C)\C=C\[C@H](CC=C(C)C)C(C)(C)O)C(C)(C)O</smiles> <smiles>CC(C)=CC[C@@H](\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)\C=C\C=C(/C)\C=C\[C@H](CC=C(C)C)C(C)(C)O)C(C)(C)O</smiles> is A C50 carotenoid that is an intermediate in the biosynthesis of bacterioruberin, a red-coloured pigment found in several Halobacterium and Haloarcula species. It has the role of bacterial metabolite . It is also related to or classified as diol  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as C50 carotenoid .


The molecule <smiles>CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(O)(=O)OP(O)(=O)OCCN)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@H]1OP(O)(O)=O</smiles> <smiles>CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(O)(=O)OP(O)(=O)OCCN)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@H]1OP(O)(O)=O</smiles> is A member of the class of lipid As in which the anomeric phosphate group of lipid A is replaced by 2-aminoethyl diphosphate. It is a conjugate acid of lipid A 1-(2-aminoethyl diphosphate)(3-) .  It is also related to or classified as dodecanoate ester  . It is also related to or classified as tetradecanoate ester  . It is also related to or classified as lipid As .


The molecule <smiles>CC(C)C=CC(=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</smiles> <smiles>CC(C)C=CC(=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</smiles> is an alk-2-enoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 4-methylpent-2-enoic acid. It is a conjugate acid of 4-methylpent-2-enoyl-CoA(4-) .  It is also related to or classified as alk-2-enoyl-CoA  . It is also related to or classified as monounsaturated fatty acyl-CoA , methyl-branched fatty acyl-CoA , short-chain fatty acyl-CoA .


The molecule <smiles>CCOP(=S)(OCC)Oc1cnc2ccccc2n1</smiles> <smiles>CCOP(=S)(OCC)Oc1cnc2ccccc2n1</smiles> is quinalphos. It has the role of acaricide . It has the role of agrochemical . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . Its functional parent is quinoxalin-2-ol . It is also related to or classified as organothiophosphate insecticide , organic thiophosphate .


The molecule <smiles>CC(C)=CC[C@@H](\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)\C=C\C=C(/C)\C=C\[C@H](CCC(C)(C)O)C(C)(C)O)C(C)(C)O</smiles> <smiles>CC(C)=CC[C@@H](\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)\C=C\C=C(/C)\C=C\[C@H](CCC(C)(C)O)C(C)(C)O)C(C)(C)O</smiles> is A C50 carotenoid that is an intermediate in the biosynthesis of bacterioruberin, a red-coloured pigment found in several Halobacterium and Haloarcula species. It has the role of bacterial metabolite . It is also related to or classified as tertiary alcohol  . It is also related to or classified as triol , C50 carotenoid .


The molecule <smiles>[Na+].[Na+].Oc1ccc2cc(cc(c2c1N=Nc1cccc2ccccc12)S([O-])(=O)=O)S([O-])(=O)=O</smiles> <smiles>[Na+].[Na+].Oc1ccc2cc(cc(c2c1N=Nc1cccc2ccccc12)S([O-])(=O)=O)S([O-])(=O)=O</smiles> is an organic sodium salt that is the disodium salt of 7-hydroxy-8-[(naphthalen-1-yl)diazenyl]naphthalene-1,3-disulfonic acid. It has the role of histological dye . It is also related to or classified as organic sodium salt .


The molecule <smiles>O[C@@H]1[C@@H](O)C(=O)C[C@@](O)(COP([O-])([O-])=O)[C@H]1O</smiles> <smiles>O[C@@H]1[C@@H](O)C(=O)C[C@@](O)(COP([O-])([O-])=O)[C@H]1O</smiles> is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 5-epi-valiolone 7-phosphate; major species at pH 7.3. It has the role of bacterial metabolite . It is also related to or classified as organophosphate oxoanion .


The molecule <smiles>C1C2=C(C[C@H](N1C([C@@H](N[C@H](C(OCC)=O)CCC=3C=CC=CC3)C)=O)C(O)=O)C=CC=C2</smiles> <smiles>C1C2=C(C[C@H](N1C([C@@H](N[C@H](C(OCC)=O)CCC=3C=CC=CC3)C)=O)C(O)=O)C=CC=C2</smiles> is A member of the class of isoquinolines that is (3S)-2-L-alanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid in which the alpha-amino group of the alanyl residue has been substituted by a 1-ethoxycarbonyl-4-phenylbutan-2-yl group (the all-S isomer). A prodrug for quinaprilat (by hydrolysis of the ethyl ester to the corresponding carboxylic acid), it is used as an angiotensin-converting enzyme inhibitor (ACE inhibitor) used (generally as the hydrochloride salt) for the treatment of hypertension and congestive heart failure. It has the role of EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor . It has the role of antihypertensive agent . It has the role of prodrug . It is also related to or classified as tertiary carboxamide  . It is also related to or classified as ethyl ester  . It is also related to or classified as isoquinolines , dicarboxylic acid monoester .


The molecule <smiles>O[C@H]1COC(=O)C1=C</smiles> <smiles>O[C@H]1COC(=O)C1=C</smiles> is A member of the class of butan-4-olides that is 3-methylidenebutan-4-olide carrying an additional hydroxy substituent at position 4 (the 4R-enantiomer). It has the role of antibacterial agent . It has the role of antifungal agent . It has the role of plant metabolite .  It is also related to or classified as secondary alcohol  . It is also related to or classified as enoate ester  . It is also related to or classified as butan-4-olide .


The molecule <smiles>CC(C)C=CC(=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</smiles> <smiles>CC(C)C=CC(=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</smiles> is A monounsaturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 4-methylpent-2-enoyl-CoA; major species at pH 7.3.  It is also related to or classified as monounsaturated fatty acyl-CoA(4-)  . It is also related to or classified as methyl-branched fatty acyl-CoA(4-) .


The molecule <smiles>OC[C@@H](O)C(=C)C(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> <smiles>OC[C@@H](O)C(=C)C(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A 6-O-acyl-D-glucose in which the 6-acyl group is specified as (3S)-3,4-dihydroxy-2-methylidenebutanoyl. A secondary metabolite with potent antibacterial activity, occurring specifically in tulip anthers. It has the role of antibacterial agent . It has the role of antifungal agent . It has the role of plant metabolite . Its functional parent is D-glucopyranose . It is also related to or classified as enoate ester  . It is also related to or classified as 6-O-acyl-D-glucose .


The molecule <smiles>CC\C(CC[C@H]1O[C@@]1(C)CC)=C/CC\C(C)=C\C(O)=O</smiles> <smiles>CC\C(CC[C@H]1O[C@@]1(C)CC)=C/CC\C(C)=C\C(O)=O</smiles> is A member of the juvenile hormone family of compounds obtained by formal hydrolysis of the methyl ester group of juvenile hormone I. It is a conjugate acid of juvenile hormone I carboxylate . It is also related to or classified as juvenile hormone , polyunsaturated fatty acid , branched-chain fatty acid , olefinic fatty acid , epoxy fatty acid .


The molecule <smiles>OC(=O)c1ccccc1C1=C2C=C(I)C(=O)C(I)=C2OC2C1C=C(I)C(O)=C2I</smiles> <smiles>OC(=O)c1ccccc1C1=C2C=C(I)C(=O)C(I)=C2OC2C1C=C(I)C(O)=C2I</smiles> is an organoiodine compound that is the ring opened tautomer of fluorescein substituted at positions 2, 4, 5 and 7 by iodo groups. It has the role of fluorescent dye . Its functional parent is fluorescein (acid form) . It is a conjugate acid of erythrosin(2-) .  It is also related to or classified as phenols  . It is also related to or classified as organoiodine compound  . It is also related to or classified as benzoic acids , xanthene dye .


The molecule <smiles>CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C=C\c1ccc(O)c(O)c1</smiles> <smiles>CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C=C\c1ccc(O)c(O)c1</smiles> is an acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of 3-trans-caffeoyl-CoA; major species at pH 7.3. It is also related to or classified as caffeoyl-CoA(4-)  .


The molecule <smiles>CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCc1ccc(O)c(O)c1</smiles> <smiles>CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCc1ccc(O)c(O)c1</smiles> is an acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of hydrocaffeoyl-CoA; major species at pH 7.3. It is also related to or classified as acyl-CoA(4-)  .


The molecule <smiles>CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C=C\c1ccc(O)c(O)c1</smiles> <smiles>CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C=C\c1ccc(O)c(O)c1</smiles> is A caffeoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-caffeic acid. Its functional parent is trans-caffeic acid . It is a conjugate acid of trans-caffeoyl-CoA(4-) . It is also related to or classified as caffeoyl-CoA  .


The molecule <smiles>CC(CCCCCCCCO)C</smiles> <smiles>CC(CCCCCCCCO)C</smiles> is A fatty alcohol that is decan-1-ol in which one of the hydrogens at position 9 has been replaced by a methyl group. It is also related to or classified as primary alcohol  . It is also related to or classified as medium-chain fatty alcohol .


The molecule <smiles>CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCc1ccc(O)c(O)c1</smiles> <smiles>CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCc1ccc(O)c(O)c1</smiles> is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of dihydrocaffeic acid. Its functional parent is 3-(3,4-dihydroxyphenyl)propanoic acid . It is a conjugate acid of dihydrocaffeoyl-CoA(4-) . It is also related to or classified as acyl-CoA  .


The molecule <smiles>CC(CCCCCCC/C=C\C(=O)NS(C)(=O)=O)C</smiles> <smiles>CC(CCCCCCC/C=C\C(=O)NS(C)(=O)=O)C</smiles> is an N-sulfonylcarboxamide that is (Z)-11-methyldodec-2-enamide in which one of the hydrogens attached to the nitrogen is replaced by a methanesulfonyl (mesyl) group. Its functional parent is methanesulfonic acid . It is also related to or classified as N-sulfonylcarboxamide  .


The molecule <smiles>C(CCCCCC/C=C\C(=O)O)CCCC</smiles> <smiles>C(CCCCCC/C=C\C(=O)O)CCCC</smiles> is an alpha,beta-unsaturated monocarboxylic acid that is tetradecanoic acid (myristic acid) which has undergone formal dehydrogenation to introduce a double bond with Z configuration between positions 2 and 3. It is also related to or classified as long-chain fatty acid  . It is also related to or classified as monounsaturated fatty acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>C1C2=C(C[C@H](N1C([C@@H](N[C@H](C(OCC)=O)CCC=3C=CC=CC3)C)=O)C(O)=O)C=CC=C2.Cl</smiles> <smiles>C1C2=C(C[C@H](N1C([C@@H](N[C@H](C(OCC)=O)CCC=3C=CC=CC3)C)=O)C(O)=O)C=CC=C2.Cl</smiles> is A hydrochloride resulting from the reaction of equimolar amounts of quinapril and hydrogen chloride. A prodrug for quinaprilat hydrochloride (by hydrolysis of the ethyl ester to the corresponding carboxylic acid), it is used as an angiotensin-converting enzyme inhibitor (ACE inhibitor) for the treatment of hypertension and congestive heart failure. It has the role of EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor . It has the role of antihypertensive agent . It is also related to or classified as hydrochloride .


The molecule <smiles>O[C@@H]1[C@@H](O)C(=O)C[C@@](O)(COP(O)(O)=O)[C@H]1O</smiles> <smiles>O[C@@H]1[C@@H](O)C(=O)C[C@@](O)(COP(O)(O)=O)[C@H]1O</smiles> is A member of the class of cyclitols that is 5-epi-valiolone carrying a phospho substituent at position 7. It has the role of bacterial metabolite . Its functional parent is 5-epi-valiolone . It is a conjugate acid of 5-epi-valiolone 7-phosphate(2-) . It is also related to or classified as cyclitol  .  It is also related to or classified as phosphate monoester  . It is also related to or classified as alicyclic ketone .


The molecule <smiles>CC(CCCCCCC/C=C\C(=O)NC1CC1)C</smiles> <smiles>CC(CCCCCCC/C=C\C(=O)NC1CC1)C</smiles> is an enamide resulting from the formal condensation of the carboxy group of (Z)-11-methyldodec-2-enoic acid with the amino group of cyclopropylamine. Its functional parent is cyclopropylamine . It is also related to or classified as secondary carboxamide  .  It is also related to or classified as enamide  . It is also related to or classified as fatty amide .


The molecule <smiles>CC(CCCCCCCC=O)C</smiles> <smiles>CC(CCCCCCCC=O)C</smiles> is A saturated fatty aldehyde resulting from the formal oxidation of the hydroxy group of 9-methyldecan-1-ol to the corresponding aldehyde. It is also related to or classified as saturated fatty aldehyde  .


The molecule <smiles>C(CCCCCCC/C=C\C(=O)N1CCCC1)C</smiles> <smiles>C(CCCCCCC/C=C\C(=O)N1CCCC1)C</smiles> is A fatty amide resulting from the formal condensation of the carboxy group of (Z)-dodec-2-enoic acid with the amino group of pyrrolidine. Its functional parent is pyrrolidine . It is also related to or classified as tertiary carboxamide  .  It is also related to or classified as enamide  . It is also related to or classified as fatty amide .


The molecule <smiles>C(CCCCCCC/C=C\C(=O)N1CCCCC1)C</smiles> <smiles>C(CCCCCCC/C=C\C(=O)N1CCCCC1)C</smiles> is A fatty amide resulting from the formal condensation of the carboxy group of (Z)-dodec-2-enoic acid with the nitrogen of piperidine. Its functional parent is piperidine . It is also related to or classified as tertiary carboxamide  .   It is also related to or classified as enamide  . It is also related to or classified as fatty amide , N-acylpiperidine .


The molecule <smiles>CC(CCCCCCCC(=C(C(=O)OCC)[H])[H])C</smiles> <smiles>CC(CCCCCCCC(=C(C(=O)OCC)[H])[H])C</smiles> is an enoate ester resulting from the formal condensation of the carboxy group of 11-methyldodec-2-enoic acid with the hydroxy group of ethanol. It is also related to or classified as enoate ester  . It is also related to or classified as fatty acid ethyl ester  .


The molecule <smiles>CC(CCCCCCC/C=C\C(=O)NO)C</smiles> <smiles>CC(CCCCCCC/C=C\C(=O)NO)C</smiles> is A hydroxamic acid resulting from the formal condensation of the carboxy group of (Z)-11-methyldodec-2-enoic acid with the nitrogen of hydroxylamine. It is also related to or classified as hydroxamic acid .


The molecule <smiles>C(CCCCCCC/C=C\C(=O)NC1CC1)C</smiles> <smiles>C(CCCCCCC/C=C\C(=O)NC1CC1)C</smiles> is an enamide resulting from the formal condensation of the carboxy group of (Z)-dodec-2-enoic acid with the amino group of cyclopropylamine. Its functional parent is cyclopropylamine . It is also related to or classified as secondary carboxamide  .  It is also related to or classified as enamide  . It is also related to or classified as fatty amide .


The molecule <smiles>CC(CCCCCCC/C=C\C(=O)N1CCCCC1)C</smiles> <smiles>CC(CCCCCCC/C=C\C(=O)N1CCCCC1)C</smiles> is an N-acylpiperidine resulting from the formal condensation of the carboxy group of (Z)-11-methyldodec-2-enoic acid with the amino group of piperidine. Its functional parent is piperidine . It is also related to or classified as tertiary carboxamide  .   It is also related to or classified as enamide  . It is also related to or classified as fatty amide , N-acylpiperidine .


The molecule <smiles>C(CCCCCC/C=C\C(=O)O)CCCC(C)C</smiles> <smiles>C(CCCCCC/C=C\C(=O)O)CCCC(C)C</smiles> is an alpha,beta-unsaturated monocarboxylic acid that is cis-2-pentadecenoic acid in which one of the hydrogens at position 14 has been replaced by a methyl group. It is also related to or classified as long-chain fatty acid  . It is also related to or classified as monounsaturated fatty acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>Cc1cc(C)c(\C=C2/C(=O)Nc3ccc(Cl)cc23)[nH]1</smiles> <smiles>Cc1cc(C)c(\C=C2/C(=O)Nc3ccc(Cl)cc23)[nH]1</smiles> is A member of the class of oxindoles that is 5-chlorooxindole in which the two hydrogens at position 3 are replaced by a (3,5-dimethylpyrrol-2-yl)methylidene group. It has the role of vascular endothelial growth factor receptor antagonist .  It is also related to or classified as organochlorine compound  . It is also related to or classified as pyrroles , oxindoles .


The molecule <smiles>Cc1c([nH]c2cccc(C)c12)C([O-])=O</smiles> <smiles>Cc1c([nH]c2cccc(C)c12)C([O-])=O</smiles> is A monocarboxylic acid anion that is the conjugate base of 3,4-dimethylindole-2-carboxylic acid, obtained by deprotonation of the carboxy group. It is also related to or classified as monocarboxylic acid anion  .


The molecule <smiles>CC(CCCCCCC/C=C/C(=O)O)C</smiles> <smiles>CC(CCCCCCC/C=C/C(=O)O)C</smiles> is an alpha,beta-unsaturated monocarboxylic acid that is trans-dodec-2-enoic acid in which one of the hydrogens at position 11 has been replaced by a methyl group. It is also related to or classified as monounsaturated fatty acid , methyl-branched fatty acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>CC(C)c1cc(\C=C(/C#N)C(=O)NCCCc2ccccc2)cc(C(C)C)c1O</smiles> <smiles>CC(C)c1cc(\C=C(/C#N)C(=O)NCCCc2ccccc2)cc(C(C)C)c1O</smiles> is A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2E)-2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enoic acid with the amino group of 3-phenylpropylamine. It has the role of vascular endothelial growth factor receptor antagonist . It is also related to or classified as secondary carboxamide  . It is also related to or classified as nitrile  . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as phenols  . It is also related to or classified as enamide  .


The molecule <smiles>[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@@]3(O)C#C)[C@]1([H])CCc1cc(OC3CCCC3)ccc21</smiles> <smiles>[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@@]3(O)C#C)[C@]1([H])CCc1cc(OC3CCCC3)ccc21</smiles> is quinestrol. It has the role of xenoestrogen . Its functional parent is 17beta-estradiol .  It is also related to or classified as terminal acetylenic compound  . It is also related to or classified as 17-hydroxy steroid .


The molecule <smiles>Cc1c([nH]c2cccc(C)c12)C(O)=O</smiles> <smiles>Cc1c([nH]c2cccc(C)c12)C(O)=O</smiles> is A member of the class of indolecarboxylic acids that is indole-2-carboxylic acid carrying two methyl substituents at positions 3 and 4. It is a conjugate acid of 3,4-dimethylindole-2-carboxylate . It is also related to or classified as indolecarboxylic acid .


The molecule <smiles>C(CCCCCCCC(=C(C(=O)OCC)[H])[H])C</smiles> <smiles>C(CCCCCCCC(=C(C(=O)OCC)[H])[H])C</smiles> is A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of dodec-2-enoic acid with the hydroxy group of ethanol. It is also related to or classified as long-chain fatty acid ethyl ester  . It is also related to or classified as enoate ester  .


The molecule <smiles>C(CCCCCCC/C=C\C(=O)N1CCOCC1)C</smiles> <smiles>C(CCCCCCC/C=C\C(=O)N1CCOCC1)C</smiles> is A fatty amide resulting from the formal condensation of (Z)-dodec-2-enoic acid with the nitrogen of morpholine. Its functional parent is morpholine . It is also related to or classified as tertiary carboxamide  .  It is also related to or classified as enamide  . It is also related to or classified as fatty amide .


The molecule <smiles>C12=C(C=C(S(N)(=O)=O)C(=C1)Cl)C(NC(N2)CC)=O</smiles> <smiles>C12=C(C=C(S(N)(=O)=O)C(=C1)Cl)C(NC(N2)CC)=O</smiles> is A member of the class of quinazolines that is quinazolin-4-one substituted at positions 2, 6 and 7 by ethyl, sulfamoyl and chloro groups respectively; a thiazide-like diuretic used to treat hypertension. It has the role of diuretic . It has the role of antihypertensive agent . It is also related to or classified as quinazolines .


The molecule <smiles>C([C@H](/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C)/C)CC=C(C)C)(C)(C)O</smiles> <smiles>C([C@H](/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C)/C)CC=C(C)C)(C)(C)O</smiles> is A C45 carotenoid that is an intermediate in the biosynthesis of bacterioruberin, a red-coloured pigment found in several Halobacterium and Haloarcula species. It has the role of bacterial metabolite . It is also related to or classified as tertiary alcohol  . It is also related to or classified as C45 carotenoid .


The molecule <smiles>C(CCCCCC/C=C\C(=O)O)CCC(C)C</smiles> <smiles>C(CCCCCC/C=C\C(=O)O)CCC(C)C</smiles> is an alpha,beta-unsaturated monocarboxylic acid that is cis-2-tetradecenoic acid in which one of the hydrogens at position 13 has been replaced by a methyl group. It is also related to or classified as long-chain fatty acid  . It is also related to or classified as monounsaturated fatty acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>C([C@H](CC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C)/C)CC=C(C)C)(C)(C)O</smiles> <smiles>C([C@H](CC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C)/C)CC=C(C)C)(C)(C)O</smiles> is A C45 carotenoid that is an intermediate in the biosynthesis of bacterioruberin, a red-coloured pigment found in several Halobacterium and Haloarcula species. It has the role of bacterial metabolite . It is also related to or classified as tertiary alcohol  . It is also related to or classified as C45 carotenoid .


The molecule <smiles>C[C@H]1C[C@@]1(N)C(O)=O</smiles> <smiles>C[C@H]1C[C@@]1(N)C(O)=O</smiles> is A non-proteinogenic alpha-amino acid that is 1-aminocyclopropanecarboxylic acid carrying an additional methyl substituent at position 2 on the cyclopropane ring. It is also related to or classified as cyclopropanes , non-proteinogenic alpha-amino acid .


The molecule <smiles>NC(=[NH2+])c1ccc(OCCCOc2ccc(cc2)C(N)=[NH2+])cc1</smiles> <smiles>NC(=[NH2+])c1ccc(OCCCOc2ccc(cc2)C(N)=[NH2+])cc1</smiles> is A guanidinium ion obtained by protonation of both guanidino groups of propamidine. It is a conjugate acid of propamidine . It is also related to or classified as guanidinium ion  .


The molecule <smiles>C[NH+]1CCC=C1c1ccc(O)nc1</smiles> <smiles>C[NH+]1CCC=C1c1ccc(O)nc1</smiles> is an organic cation obtained by protonation of the tertiary amino function of 6-hydroxy-N-methylmyosmine; major species at pH 7.3. It has the role of bacterial xenobiotic metabolite . It is a conjugate acid of 6-hydroxy-N-methylmyosmine . It is also related to or classified as organic cation , ammonium ion derivative .


The molecule <smiles>CC(C)=CC[C@@H](CC\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\C=C(/C)\C=C\[C@H](CC=C(C)C)C(C)(C)O)C(C)(C)O</smiles> <smiles>CC(C)=CC[C@@H](CC\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\C=C(/C)\C=C\[C@H](CC=C(C)C)C(C)(C)O)C(C)(C)O</smiles> is A C50 carotenoid that is an intermediate in the biosynthesis of bacterioruberin, a red-coloured pigment found in several Halobacterium and Haloarcula species. It has the role of bacterial metabolite . It is also related to or classified as diol  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as C50 carotenoid .


The molecule <smiles>COC(=O)[C@@H](N)CSC\C=C(/C)CC\C=C(/C)CCC=C(C)C</smiles> <smiles>COC(=O)[C@@H](N)CSC\C=C(/C)CC\C=C(/C)CCC=C(C)C</smiles> is an alpha-amino acid ester that is the methyl ester of S-[(2E,6E)-farnesyl]-L-cysteine. Its functional parent is S-[(2E,6E)-farnesyl]-L-cysteine . It is also related to or classified as alpha-amino acid ester  . It is also related to or classified as L-cysteine derivative .


The molecule <smiles>CN1CCC=C1c1ccc(O)nc1</smiles> <smiles>CN1CCC=C1c1ccc(O)nc1</smiles> is A member of the class of pyrrolines that is N-methyl-2-pyrroline carrying a 6-hydroxypyridin-3-yl substituent at position 2. It has the role of bacterial xenobiotic metabolite . It is also related to or classified as pyrroline  . It is also related to or classified as monohydroxypyridine .


The molecule <smiles>OCCS(O)(=O)=O.OCCS(O)(=O)=O.NC(=N)c1ccc(OCCCOc2ccc(cc2)C(N)=N)cc1</smiles> <smiles>OCCS(O)(=O)=O.OCCS(O)(=O)=O.NC(=N)c1ccc(OCCCOc2ccc(cc2)C(N)=N)cc1</smiles> is A guanidinium salt obtained by combining propamidine with two molar equivalents of isethionic acid. Used for the treatment of minor eye or eyelid infections, such as conjunctivitis and blepharitis. It has the role of antimicrobial agent . It has the role of antiseptic drug . It is also related to or classified as organosulfonate salt , guanidinium salt .


The molecule <smiles>NC(=N)c1ccc(OCCCCCCOc2ccc(cc2)C(N)=N)cc1</smiles> <smiles>NC(=N)c1ccc(OCCCCCCOc2ccc(cc2)C(N)=N)cc1</smiles> is A polyether that is the bis(4-guanidinophenyl) ether of hexane-1,6-diol. It has the role of antimicrobial agent . It has the role of antiseptic drug . Its functional parent is hexane-1,6-diol .   It is also related to or classified as polyether  . It is also related to or classified as guanidines , aromatic ether .


The molecule <smiles>[Na+].[Na+].Oc1ccc2cc(cc(c2c1N=Nc1ccc(cc1)N=Nc1ccccc1)S([O-])(=O)=O)S([O-])(=O)=O</smiles> <smiles>[Na+].[Na+].Oc1ccc2cc(cc(c2c1N=Nc1ccc(cc1)N=Nc1ccccc1)S([O-])(=O)=O)S([O-])(=O)=O</smiles> is an organic sodium salt that is the disodium salt of 7-hydroxy-8-{[4-(phenyldiazenyl)phenyl]diazenyl}naphthalene-1,3-disulfonic acid. Occasionally used for the demonstration of muscle fibres in conjunction with, or as a replacement for, acid fuchsin. It has the role of histological dye . It is also related to or classified as organic sodium salt .


The molecule <smiles>Oc1ccc2ccccc2c1N=Nc1ccc(cc1S(O)(=O)=O)N=Nc1ccc(cc1)S(O)(=O)=O</smiles> <smiles>Oc1ccc2ccccc2c1N=Nc1ccc(cc1S(O)(=O)=O)N=Nc1ccc(cc1)S(O)(=O)=O</smiles> is an arenesulfonic acid that is m-[(4-sulfophenyl)diazenyl]benzene-1-sulfonic acid carrying a (2-hydroxynaphthalen-1-yl)diazenyl substituent at position 2. The disodium salt is the biological stain 'Biebrich scarlet'. It has the role of histological dye . It is a conjugate acid of Biebrich scarlet(2-) . It is also related to or classified as azobenzenes  . It is also related to or classified as naphthols , arenesulfonic acid , bis(azo) compound .


The molecule <smiles>[Na+].[Na+].Oc1ccc2ccccc2c1N=Nc1ccc(cc1S([O-])(=O)=O)N=Nc1ccc(cc1)S([O-])(=O)=O</smiles> <smiles>[Na+].[Na+].Oc1ccc2ccccc2c1N=Nc1ccc(cc1S([O-])(=O)=O)N=Nc1ccc(cc1)S([O-])(=O)=O</smiles> is an organic sodium salt having 2-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-[(4-sulfonatophenyl)diazenyl]benzene-1-sulfonate as the counterion. Used as a plasma stain in Masson's trichrome. It has the role of histological dye . It is also related to or classified as organic sodium salt .


The molecule <smiles>Oc1ccc2ccccc2c1N=Nc1ccc(cc1S([O-])(=O)=O)N=Nc1ccc(cc1)S([O-])(=O)=O</smiles> <smiles>Oc1ccc2ccccc2c1N=Nc1ccc(cc1S([O-])(=O)=O)N=Nc1ccc(cc1)S([O-])(=O)=O</smiles> is an organosulfonate oxoanion obtained by deprotonation of the sulfo groups of Biebrich scarlet. It is also related to or classified as organosulfonate oxoanion  .


The molecule <smiles>[Na+].[Na+].[O-]C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(Br)c([O-])c(Br)c2oc2c(Br)c(=O)c(Br)cc12</smiles> <smiles>[Na+].[Na+].[O-]C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(Br)c([O-])c(Br)c2oc2c(Br)c(=O)c(Br)cc12</smiles> is an organic sodium salt that is the disodium salt of 2,3,4,5-tetrachloro-6-(2,4,5,7-tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid. It is used in the hematoxylin phloxine saffron (HPS) stain, stains paneth cell granules in Lendrum's phloxine-tartrazine method, and can be used to demonstrate alcoholic hyaline. It has the role of fluorochrome . It has the role of histological dye . It is also related to or classified as organic sodium salt .


The molecule <smiles>[Mg+2].NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(OP(=O)([O-])[O-])[O-])[C@@H](O)[C@H]3O</smiles> <smiles>[Mg+2].NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(OP(=O)([O-])[O-])[O-])[C@@H](O)[C@H]3O</smiles> is an organophosphate oxoanion that is MgADP which has lost the proton attached to the diphosphate moiety. It is also related to or classified as organophosphate oxoanion .


The molecule <smiles>CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl</smiles> <smiles>CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl</smiles> is A carboxamide that is the N-dichloroacetyl derivative of (1R,2S)-2-amino-3-fluoro-1-[4-(methanesulfonyl)phenyl]propan-1-ol. A synthetic veterinary antibiotic that is used for treatment of bovine respiratory disease and foot rot; also used in aquaculture. It has the role of antimicrobial agent . Its functional parent is dichloroacetic acid . It is also related to or classified as secondary carboxamide  . It is also related to or classified as secondary alcohol  . It is also related to or classified as sulfone  . It is also related to or classified as organochlorine compound  . It is also related to or classified as organofluorine compound  .


The molecule <smiles>Oc1ccc2cc(cc(c2c1N=Nc1ccc(cc1)N=Nc1ccccc1)S([O-])(=O)=O)S([O-])(=O)=O</smiles> <smiles>Oc1ccc2cc(cc(c2c1N=Nc1ccc(cc1)N=Nc1ccccc1)S([O-])(=O)=O)S([O-])(=O)=O</smiles> is an organosulfonate oxoanion obtained by deprotonation of the sulfo groups of 7-hydroxy-8-{[4-(phenyldiazenyl)phenyl]diazenyl}naphthalene-1,3-disulfonic acid. It is also related to or classified as organosulfonate oxoanion  .


The molecule <smiles>[Mg++].Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP(O)([O-])=O)[C@@H](O)[C@H]1O</smiles> <smiles>[Mg++].Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP(O)([O-])=O)[C@@H](O)[C@H]1O</smiles> is A magnesium salt composed of Mg(2+) and ADP(2-) ions in a 1:1 ratio. Magnesium-ADP is a potassium channel activator. It has the role of potassium channel opener . It is a conjugate acid of MgADP(1-) . It is also related to or classified as magnesium salt .


The molecule <smiles>[Na+].[O-]S(=O)(=O)c1ccc(Nc2cc3[n+](-c4ccccc4)c4ccccc4nc3c3ccc(cc23)S([O-])(=O)=O)cc1</smiles> <smiles>[Na+].[O-]S(=O)(=O)c1ccc(Nc2cc3[n+](-c4ccccc4)c4ccccc4nc3c3ccc(cc23)S([O-])(=O)=O)cc1</smiles> is an organic sodium salt having 7-phenyl-5-(4-sulfonatoanilino)benzo[a]phenazin-7-ium-3-sulfonate as the couterion. It has the role of histological dye . It is also related to or classified as organic sodium salt .


The molecule <smiles>[O-]S(=O)(=O)c1ccc(Nc2cc3[n+](-c4ccccc4)c4ccccc4nc3c3ccc(cc23)S([O-])(=O)=O)c(c1)S([O-])(=O)=O</smiles> <smiles>[O-]S(=O)(=O)c1ccc(Nc2cc3[n+](-c4ccccc4)c4ccccc4nc3c3ccc(cc23)S([O-])(=O)=O)c(c1)S([O-])(=O)=O</smiles> is an organosulfonate oxoanion obtained by deprotonation of the sulfo groups of 4-[(7-phenyl-3-sulfobenzo[a]phenazin-5-ylidene)amino]benzene-1,3-disulfonic acid. It is also related to or classified as organosulfonate oxoanion  .


The molecule <smiles>[O-]C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(Br)c([O-])c(Br)c2oc2c(Br)c(=O)c(Br)cc12</smiles> <smiles>[O-]C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(Br)c([O-])c(Br)c2oc2c(Br)c(=O)c(Br)cc12</smiles> is A benzoate anion resulting from the removal of protons from the phenolic hydroxy group and the carboxy group of 2',4',5',7'-tetrabromo-2,3,4,5-tetrachlorofluorescein. It is also related to or classified as benzoates , phenolate anion .


The molecule <smiles>OS(=O)(=O)c1ccc(\N=c2\cc3n(-c4ccccc4)c4ccccc4nc3c3ccc(cc23)S(O)(=O)=O)c(c1)S(O)(=O)=O</smiles> <smiles>OS(=O)(=O)c1ccc(\N=c2\cc3n(-c4ccccc4)c4ccccc4nc3c3ccc(cc23)S(O)(=O)=O)c(c1)S(O)(=O)=O</smiles> is an organic heterotetracyclic compound that is 7-phenyl-5-imino-5,7-dihydrobenzo[a]phenazine-3-sulfonic acid in which the imino hydrogen is replaced by a 2,4-disulfophenyl group. The disodium salt is the biological stain 'azocarmine B'. It is a conjugate acid of azocarmine B(2-) . It is also related to or classified as imine  . It is also related to or classified as arenesulfonic acid , organic heterotetracyclic compound .


The molecule <smiles>Oc1ccc2cc(cc(c2c1N=Nc1ccc(cc1)N=Nc1ccccc1)S(O)(=O)=O)S(O)(=O)=O</smiles> <smiles>Oc1ccc2cc(cc(c2c1N=Nc1ccc(cc1)N=Nc1ccccc1)S(O)(=O)=O)S(O)(=O)=O</smiles> is A naphthalenesulfonic acid that is 7-hydroxynaphthalene-1,3-disulfonic acid substituted at position 8 by a [4-(phenyldiazenyl)phenyl]diazenyl group. The disodium salt is the biological stain 'woodstain scarlet'. It is a conjugate acid of 7-hydroxy-8-{[4-(phenyldiazenyl)phenyl]diazenyl}naphthalene-1,3-disulfonate . It is also related to or classified as azobenzenes  . It is also related to or classified as naphthols , naphthalenesulfonic acid , bis(azo) compound .


The molecule <smiles>Oc1c(cc([N+]([O-])=O)c2ccc(cc12)S(O)(=O)=O)[N+]([O-])=O</smiles> <smiles>Oc1c(cc([N+]([O-])=O)c2ccc(cc12)S(O)(=O)=O)[N+]([O-])=O</smiles> is A naphthalenesulfonic acid that is naphthalene-2-sulfonic acid substituted by nitro groups at positions 5 and 7 as well as a hydroxy group at position 8. The disodium salt is the biological stain 'naphthol yellow S'. It has the role of histological dye . It is a conjugate acid of flavianate . It is also related to or classified as naphthols , C-nitro compound , naphthalenesulfonic acid .


The molecule <smiles>OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(Br)c(O)c(Br)c2oc2c(Br)c(=O)c(Br)cc12</smiles> <smiles>OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(Br)c(O)c(Br)c2oc2c(Br)c(=O)c(Br)cc12</smiles> is A xanthene dye that is fluorescein bearing bromine substituents at positions 2', 4', 5' and 7' (on the xanthene ring) and chlorine substituents at position 2, 3, 4, and 5 (on the phenyl ring). The disodium salt is the biological stain 'phloxine B'. It has the role of fluorochrome . Its functional parent is fluorescein (acid form) . It is a conjugate acid of 2',4',5',7'-tetrabromo-2,3,4,5-tetrachlorofluorescein(2-) .  It is also related to or classified as tetrachlorobenzene  . It is also related to or classified as phenols  . It is also related to or classified as organobromine compound  . It is also related to or classified as benzoic acids , xanthene dye .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC</smiles> is A diacylglycerol 40:5 in which the acyl groups specified are  icosanoyl and (5Z,8Z,11ZZ,14Z,17Z)-eicosapentaenoyl respectively,. Its functional parent is all-cis-5,8,11,14,17-icosapentaenoic 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 40:5  .


The molecule <smiles>OS(=O)(=O)c1ccc(cc1)\N=c1\cc2n(-c3ccccc3)c3ccccc3nc2c2ccc(cc12)S(O)(=O)=O</smiles> <smiles>OS(=O)(=O)c1ccc(cc1)\N=c1\cc2n(-c3ccccc3)c3ccccc3nc2c2ccc(cc12)S(O)(=O)=O</smiles> is an organic heterotetracyclic compound that is 7-phenyl-5-imino-5,7-dihydrobenzo[a]phenazine-3-sulfonic acid in which the imino hydrogen is replaced by a 4-sulfophenyl group. The monosodium salt is the biological stain 'azocarmine G'. It is a conjugate acid of azocarmine G(1-) . It is also related to or classified as imine  . It is also related to or classified as arenesulfonic acid , organic heterotetracyclic compound .


The molecule <smiles>OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O</smiles> <smiles>OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O</smiles> is beta-D-Gal-(1->4)-D-Man in which the anomeric configuration of the mannose residue is alpha. It is also related to or classified as beta-D-Gal-(1->4)-D-Man  .


The molecule <smiles>[O-]S(=O)(=O)c1ccc(Nc2cc3[n+](-c4ccccc4)c4ccccc4nc3c3ccc(cc23)S([O-])(=O)=O)cc1</smiles> <smiles>[O-]S(=O)(=O)c1ccc(Nc2cc3[n+](-c4ccccc4)c4ccccc4nc3c3ccc(cc23)S([O-])(=O)=O)cc1</smiles> is an organosulfonate oxoanion obtained by deprotonation of the sulfo groups of 7-phenyl-5-[(4-sulfophenyl)imino]-5,7-dihydrobenzo[a]phenazine-3-sulfonic acid. It is also related to or classified as organosulfonate oxoanion  .


The molecule <smiles>[Na+].Cc1ccc(cc1)N1C(=O)c2cccc3c(N)c(cc(C1=O)c23)S([O-])(=O)=O</smiles> <smiles>[Na+].Cc1ccc(cc1)N1C(=O)c2cccc3c(N)c(cc(C1=O)c23)S([O-])(=O)=O</smiles> is an organic sodium salt having  6-amino-2-(4-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonate as the counterion. It is used as the displacement dye in the yellowsolve I method for fibrin. It has the role of histological dye . It is also related to or classified as organic sodium salt .


The molecule <smiles>[Na+].[Na+].[O-]S(=O)(=O)c1ccc(Nc2cc3[n+](-c4ccccc4)c4ccccc4nc3c3ccc(cc23)S([O-])(=O)=O)c(c1)S([O-])(=O)=O</smiles> <smiles>[Na+].[Na+].[O-]S(=O)(=O)c1ccc(Nc2cc3[n+](-c4ccccc4)c4ccccc4nc3c3ccc(cc23)S([O-])(=O)=O)c(c1)S([O-])(=O)=O</smiles> is an organic sodium salt that is the disodium salt of 4-[(7-phenyl-3-sulfobenzo[a]phenazin-7-ium-5-yl)amino]benzene-1,3-disulfonic acid. It has the role of histological dye . It is also related to or classified as organic sodium salt .


The molecule <smiles>[O-]S(=O)(=O)c1cccc(c1)N=Nc1ccc(Nc2ccccc2)cc1</smiles> <smiles>[O-]S(=O)(=O)c1cccc(c1)N=Nc1ccc(Nc2ccccc2)cc1</smiles> is an organosulfonate oxoanion obtained by deprotonation of the sulfo group of 3-[(4-anilinophenyl)diazenyl]benzene-1-sulfonic acid. It is also related to or classified as organosulfonate oxoanion  .


The molecule <smiles>[Na+].[O-]S(=O)(=O)c1cccc(c1)N=Nc1ccc(Nc2ccccc2)cc1</smiles> <smiles>[Na+].[O-]S(=O)(=O)c1cccc(c1)N=Nc1ccc(Nc2ccccc2)cc1</smiles> is an organic sodium salt having 3-[(4-anilinophenyl)diazenyl]benzene-1-sulfonate as the counterion. Used in one variant of Masson's trichrome to stain collagen yellow in contrast to the red muscle, but is not in common used. It has the role of histological dye . It is also related to or classified as organic sodium salt .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCC</smiles> is A diacylglycerol 38:0 in which the acyl groups specified at positions 1 and 2 are hexadecanoyl and docosanoyl respectively. Its functional parent is hexadecanoic acid . Its functional parent is docosanoic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  . It is also related to or classified as diacylglycerol 38:0  .


The molecule <smiles>Cc1ccc(cc1)N1C(=O)c2cccc3c(N)c(cc(C1=O)c23)S([O-])(=O)=O</smiles> <smiles>Cc1ccc(cc1)N1C(=O)c2cccc3c(N)c(cc(C1=O)c23)S([O-])(=O)=O</smiles> is an organosulfonate oxoanion obtained by deprotonation of the sulfo group of lissamine flavine FF. It is also related to or classified as organosulfonate oxoanion  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCC</smiles> is A diacylglycerol 40:0 in which the acyl groups at positions 1 and 2 are octadecanoyl and docosanoyl respectively. Its functional parent is octadecanoic acid . Its functional parent is docosanoic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  . It is also related to or classified as diacylglycerol 40:0  .


The molecule <smiles>[O-]c1c(cc([N+]([O-])=O)c2ccc(cc12)S([O-])(=O)=O)[N+]([O-])=O</smiles> <smiles>[O-]c1c(cc([N+]([O-])=O)c2ccc(cc12)S([O-])(=O)=O)[N+]([O-])=O</smiles> is an organosulfonate oxoanion obtained by deprotonation of the sulfo and phenolic hydroxy groups of flavianic acid. It is also related to or classified as organosulfonate oxoanion  . It is also related to or classified as phenolate anion .


The molecule <smiles>[Na+].[Na+].[O-]c1c(cc([N+]([O-])=O)c2ccc(cc12)S([O-])(=O)=O)[N+]([O-])=O</smiles> <smiles>[Na+].[Na+].[O-]c1c(cc([N+]([O-])=O)c2ccc(cc12)S([O-])(=O)=O)[N+]([O-])=O</smiles> is an organic sodium salt that is the disodium salt of 5,7-dinitro-8-hydroxynaphthalene-2-sulfonic acid. It has the role of histological dye . It is also related to or classified as organic sodium salt .


The molecule <smiles>Nc1ncnc2n(nc(COc3cccc(Cl)c3)c12)C1CCOCC1</smiles> <smiles>Nc1ncnc2n(nc(COc3cccc(Cl)c3)c12)C1CCOCC1</smiles> is A pyrazolopyrimidine that is 1H-pyrazolo[3,4-d]pyrimidin-4-amine which is substituted at positions 1 and 3 by tetrahydro-2H-pyran-4-yl and (m-chlorophenoxy)methyl groups, respectively. It is a selective inhibitor of the epsilon isoform of casein kinase 1 (CK1epsilon). It has the role of EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor . It is also related to or classified as aromatic ether , pyrazolopyrimidine , oxanes , monochlorobenzenes .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@H](CO)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC</smiles> <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@H](CO)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC</smiles> is A diacylglycerol 40:10 in which the acyl groups specified at positions 1 and 2 are (6Z,9Z,12Z,15Z)-octadecatetraenoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid . Its functional parent is all-cis-octadeca-6,9,12,15-tetraenoic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  . It is also related to or classified as diacylglycerol 40:10  .


The molecule <smiles>Cc1ccc(cc1)N1C(=O)c2cccc3c(N)c(cc(C1=O)c23)S(O)(=O)=O</smiles> <smiles>Cc1ccc(cc1)N1C(=O)c2cccc3c(N)c(cc(C1=O)c23)S(O)(=O)=O</smiles> is A member of the class of benzoisoquinolines that is 1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonic acid substituted by 4-tolyl and amino groups at positions 2 and 6 respectively. The monosodium salt is the biological stain 'lissamine flavine FF'. It is a conjugate acid of lissamine flavine FF(1-) .   It is also related to or classified as dicarboximide  . It is also related to or classified as arenesulfonic acid , aromatic amine , benzoisoquinoline .


The molecule <smiles>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</smiles> <smiles>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</smiles> is A member of the class of lipid As that is lipid IVA in which one of the free OH groups on the two N-hydroxytetradecanoyl groups is carrying a palimitoyl group. Its functional parent is lipid IVA . It is also related to or classified as lipid As .


The molecule <smiles>CCOC(=O)c1cc(O)c(O)c(O)c1</smiles> <smiles>CCOC(=O)c1cc(O)c(O)c(O)c1</smiles> is A gallate ester obtained by the formal condensation of gallic acid with ethanol. It has the role of plant metabolite . It is also related to or classified as gallate ester .


The molecule <smiles>Cl.Cl.Nc1nccc(n1)-c1c(ncn1C1CCCCC1)-c1ccc(F)cc1</smiles> <smiles>Cl.Cl.Nc1nccc(n1)-c1c(ncn1C1CCCCC1)-c1ccc(F)cc1</smiles> is A hydrochloride salt resulting from the formal reaction of 3-[(3-chlorophenoxy)methyl]-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine with 2 mol eq. of hydrogen chloride. It is a selective inhibitor of the delta- and epsilon-isoforms of casein kinase 1 (CK1delta and CK1epsilon). It has the role of EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor . It is also related to or classified as hydrochloride .


The molecule <smiles>CCCC(Cl)CCCCOC(C)=O</smiles> <smiles>CCCC(Cl)CCCCOC(C)=O</smiles> is an acetate ester that is octyl acetate substituted by a chloro group at position 5. It has the role of metabolite . It is also related to or classified as organochlorine compound  . It is also related to or classified as acetate ester  .


The molecule <smiles>C[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1NC(C)=O)[C@H](N)C(O)=O</smiles> <smiles>C[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1NC(C)=O)[C@H](N)C(O)=O</smiles> is an O-glycosyl-L-threonine having N-acetyl-beta-D-glucosaminyl-(1->3)-N-acetyl-alpha-D-galactosamine as the glycosyl component. It is also related to or classified as O-glycosyl-L-threonine , disaccharide derivative .


The molecule <smiles>[H+].[H+].Nc1nccc(n1)-c1c(ncn1C1CCCCC1)-c1ccc(F)cc1</smiles> <smiles>[H+].[H+].Nc1nccc(n1)-c1c(ncn1C1CCCCC1)-c1ccc(F)cc1</smiles> is an ammonium ion resulting from the addition of two protons to the free base of PF-670462. It is a conjugate acid of PF-670462 free base . It is also related to or classified as ammonium ion derivative .


The molecule <smiles>CC(OC(C)C(O)=O)C=O</smiles> <smiles>CC(OC(C)C(O)=O)C=O</smiles> is an oxo carboxylic acid that is propanal substituted by a carboxyethoxy group at position 2. It has the role of metabolite . It is also related to or classified as aldehyde  . It is also related to or classified as ether  . It is also related to or classified as oxo carboxylic acid .


The molecule <smiles>CCCCCC\C=C/CCCCCCCC(=O)OC(CO)CO</smiles> <smiles>CCCCCC\C=C/CCCCCCCC(=O)OC(CO)CO</smiles> is A monoacylglycerol 16:1 in which the acyl group specified at position 2 is 9Z)-hexadecenoyl. Its functional parent is palmitoleic acid . It is also related to or classified as 2-acylglycerol 16:1  .


The molecule <smiles>C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C(=O)C=C34)[C@@H]1CCC2=O</smiles> <smiles>C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C(=O)C=C34)[C@@H]1CCC2=O</smiles> is an o-quinone resulting from the formal oxidation of the dihydroxyphenyl moiety of 2-hydroxyestrone. It has the role of human metabolite . Its functional parent is 2-hydroxyestrone . It is also related to or classified as 17-oxo steroid  .  It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as orthoquinones .


The molecule <smiles>CCCCCOCCOC(C)=O</smiles> <smiles>CCCCCOCCOC(C)=O</smiles> is an acetate ester that is ethyl acetate substituted by a pentyloxy group at position 2. It has the role of metabolite . It is also related to or classified as ether  . It is also related to or classified as acetate ester  .


The molecule <smiles>OS(=O)(=O)c1cccc(c1)N=Nc1ccc(Nc2ccccc2)cc1</smiles> <smiles>OS(=O)(=O)c1cccc(c1)N=Nc1ccc(Nc2ccccc2)cc1</smiles> is A member of the class of azobenzenes that is azobenzene in which one of the phenyl groups is substituted at the para position by an anilino group, while the other is substituted at a meta position by a sulfo group. The monosodium salt is the biological stain 'metanil yellow'. It is a conjugate acid of 3-[(4-anilinophenyl)diazenyl]benzene-1-sulfonate . It is also related to or classified as azobenzenes  . It is also related to or classified as arenesulfonic acid , aromatic amine , secondary amino compound .


The molecule <smiles>CCOC(=O)CCC(=O)OCCC(C)C</smiles> <smiles>CCOC(=O)CCC(=O)OCCC(C)C</smiles> is A dieter obtained by the forma condensation of the two carboxy groups of succinic acid with ethanol and 3-methylbutanol respectively. It has the role of metabolite . Its functional parent is succinic acid .   It is also related to or classified as diester  . It is also related to or classified as dicarboxylic acids and O-substituted derivatives , succinate ester .


The molecule <smiles>C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(=O)C4=O)[C@@H]1CCC2=O</smiles> <smiles>C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(=O)C4=O)[C@@H]1CCC2=O</smiles> is an o-quinone resulting from the formal oxidation of the dihydroxyphenyl moiety of 4-hydroxyestrone. It has the role of human metabolite . It is also related to or classified as 17-oxo steroid  . It is also related to or classified as 3-oxo-Delta(1) steroid  . It is also related to or classified as orthoquinones .


The molecule <smiles>CCO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O</smiles> <smiles>CCO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O</smiles> is A beta-D-glucosiduronic acid that is the ethyl derivative of beta-D-glucuronic acid. It has the role of human urinary metabolite . It is also related to or classified as beta-D-glucosiduronic acid .