The molecule <smiles>C12=C(C(=C(C=C1C=C(C(=C2O)/N=N/C=3C=CC(=CC3)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)/N=N/C=4C=CC(=CC4)[N+](=O)[O-])N</smiles> <smiles>C12=C(C(=C(C=C1C=C(C(=C2O)/N=N/C=3C=CC(=CC3)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)/N=N/C=4C=CC(=CC4)[N+](=O)[O-])N</smiles> is A bis(azo) compound that is naphthalene-2,7-disulfonic acid in which the hydrogens at positions 3, 4, 5, and 6 are replaced by (p-nitrophenyl)azo, amino, hydroxy, and (p-sulfophenyl)azo groups, respectively. The trisodium salt is the histological dye 'naphthalene blue black CS'. It has the role of fluorochrome . It has the role of histological dye . It is a conjugate acid of 4-amino-5-hydroxy-3-[(4-nitrophenyl)diazenyl]-6-[(4-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate . It is also related to or classified as azobenzenes  . It is also related to or classified as naphthols , C-nitro compound , aminonaphthalenesulfonic acid , bis(azo) compound .


The molecule <smiles>[O-]P(=O)([O-])OCC=C(C)C</smiles> <smiles>[O-]P(=O)([O-])OCC=C(C)C</smiles> is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of prenyl phosphate; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .


The molecule <smiles>C12=C(C(=C(C=C1C=C(C(=C2O)/N=N/C=3C=CC(=CC3)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)/N=N/C=4C=CC(=CC4)[N+](=O)[O-])N</smiles> <smiles>C12=C(C(=C(C=C1C=C(C(=C2O)/N=N/C=3C=CC(=CC3)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)/N=N/C=4C=CC(=CC4)[N+](=O)[O-])N</smiles> is an organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of naphthalene blue black CS (acid form). It is also related to or classified as organosulfonate oxoanion  .


The molecule <smiles>OP(=O)(O)OCC=C(C)C</smiles> <smiles>OP(=O)(O)OCC=C(C)C</smiles> is A prenol phosphate consisting of a single prenol unit attached to monophosphate. Its functional parent is prenol . It is a conjugate acid of prenyl phosphate(2-) . It is also related to or classified as prenol phosphate .


The molecule <smiles>C12=C(C(=C(C=C1C=C(C(=C2O)/N=N/C=3C=CC(=CC3)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)/N=N/C=4C=CC(=CC4)[N+](=O)[O-])N.[Na+].[Na+].[Na+]</smiles> <smiles>C12=C(C(=C(C=C1C=C(C(=C2O)/N=N/C=3C=CC(=CC3)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)/N=N/C=4C=CC(=CC4)[N+](=O)[O-])N.[Na+].[Na+].[Na+]</smiles> is an organic sodium salt resulting from the formal condensation of naphthalene blue black CS (acid form) with two equivalents of sodium hydroxide. Used for staining fibrin. 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>[C@@]12(C[C@@H]([C@@H]([C@@]3(N1C(N[C@](C2)([C@H](C4=CC(NC(N4)=O)=O)O)[H])=[NH+]C3)[H])C)OS([O-])(=O)=O)[H]</smiles> <smiles>[C@@]12(C[C@@H]([C@@H]([C@@]3(N1C(N[C@](C2)([C@H](C4=CC(NC(N4)=O)=O)O)[H])=[NH+]C3)[H])C)OS([O-])(=O)=O)[H]</smiles> is A zwitterion resulting from the transfer of a proton from the sulfooxy group to one of the nitrogens of the guanidine group of cylindrospermopsin. It has the role of cyanotoxin . It is also related to or classified as zwitterion  .


The molecule <smiles>O1C(=CC(=C1)COP(OP(O)(=O)O)(=O)O)CN</smiles> <smiles>O1C(=CC(=C1)COP(OP(O)(=O)O)(=O)O)CN</smiles> is A member of the class of furans that is 2-furylmethylamine substituted at position 4 by a diphosphooxymethyl group. It has the role of bacterial metabolite . It is a conjugate acid of [5-(ammoniomethyl)-3-furyl]methyl diphosphate(2-) . It is also related to or classified as furans , primary amino compound , organic diphosphate .


The molecule <smiles>C=1N(C(N=C(C1)N)=O)[C@@H]2O[C@@H]([C@H]([C@H]2O)O)COP(OP(O[C@@H]3[C@H](C[C@@H]([C@H](O3)C)O)O)(=O)O)(=O)O</smiles> <smiles>C=1N(C(N=C(C1)N)=O)[C@@H]2O[C@@H]([C@H]([C@H]2O)O)COP(OP(O[C@@H]3[C@H](C[C@@H]([C@H](O3)C)O)O)(=O)O)(=O)O</smiles> is A CDP-3,6-dideoxy-D-mannose in which the anomeric centre of the sugar component has alpha-configuration. Its functional parent is alpha-tyvelopyranose . It is a conjugate acid of CDP-3,6-dideoxy-alpha-D-mannose(2-) . It is also related to or classified as CDP-3,6-dideoxy-D-mannose  .


The molecule <smiles>[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C</smiles> <smiles>[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C</smiles> is A macrocyclic organosiloxane composed from eight repeating Me2SiO units.  It is also related to or classified as macrocycle  . It is also related to or classified as organosiloxane .


The molecule <smiles>O1C(=CC(=C1)COP(OP([O-])(=O)[O-])(=O)[O-])C[NH3+]</smiles> <smiles>O1C(=CC(=C1)COP(OP([O-])(=O)[O-])(=O)[O-])C[NH3+]</smiles> is an organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups and protonation of the amino group of [5-(aminomethyl)-3-furyl]methyl diphosphate; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .


The molecule <smiles>C(CNC(CC[C@@H](C(=O)[O-])[NH3+])=O)C1=CC=C(C=C1)OCC2=COC(=C2)C[NH3+]</smiles> <smiles>C(CNC(CC[C@@H](C(=O)[O-])[NH3+])=O)C1=CC=C(C=C1)OCC2=COC(=C2)C[NH3+]</smiles> is an alpha-amino-acid cation obtained by deprotonation of the carboxy group and protonation of the amino groups of (4-{4-[2-(gamma-L-glutamylamino)ethyl]phenoxymethyl}furan-2-yl)methanamine: major species at pH 7.3. It is also related to or classified as alpha-amino-acid cation .


The molecule <smiles>CC(C)(C)S(=O)(=O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1</smiles> <smiles>CC(C)(C)S(=O)(=O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1</smiles> is an L-histidine derivative that is L-histidine in which one of the amino hydrogens is replaced by a (2S)-2-[(2-methylpropane-2-sulfonyl)methyl]-3-phenylpropanoyl group and the carboxy group is replaced by a [(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino group. It is a renin inhibitor which was under development for the treatment of hypertension (now discontinued). It has the role of EC 3.4.23.15 (renin) inhibitor . It has the role of vasodilator agent . It has the role of antihypertensive agent . It has the role of peptidomimetic . It is also related to or classified as secondary carboxamide  . It is also related to or classified as diol  . It is also related to or classified as sulfone  . It is also related to or classified as cyclopropanes , L-histidine derivative .


The molecule <smiles>BrCCCCN1CCCCC1=O</smiles> <smiles>BrCCCCN1CCCCC1=O</smiles> is A member of the class of delta-lactams that is 2-piperidinone in which the amide hydrogen is replaced by a 4-bromobutyl group. It is also related to or classified as organobromine compound  . It is also related to or classified as delta-lactam  .


The molecule <smiles>OCCC(CO)O</smiles> <smiles>OCCC(CO)O</smiles> is A triol that is butane carrying three hydroxy substituents at position 1, 2 and 4. It has the role of Escherichia coli metabolite . It has the role of bacterial xenobiotic metabolite . It is also related to or classified as triol .


The molecule <smiles>C=1(C=C(C(=CC1)O)OC)CC(OCC2=C[C@@]3([C@]4([C@]5([C@](C2)(C(=O)C(=C5)C)O)[H])O[C@]6(O[C@@]([C@@]3(O6)[H])(C(=C)C)C[C@H]4C)CC=7C=CC=CC7)[H])=O</smiles> <smiles>C=1(C=C(C(=CC1)O)OC)CC(OCC2=C[C@@]3([C@]4([C@]5([C@](C2)(C(=O)C(=C5)C)O)[H])O[C@]6(O[C@@]([C@@]3(O6)[H])(C(=C)C)C[C@H]4C)CC=7C=CC=CC7)[H])=O</smiles> is A heteropentacyclic compound found in Euphorbia poissonii with molecular formula C37H40O9. It is an agonist of the transient receptor potential cation channel subfamily V member 1 (TrpV1). It has the role of TRPV1 agonist . It has the role of analgesic . It has the role of neurotoxin . It has the role of plant metabolite . It is also related to or classified as tertiary alpha-hydroxy ketone  . It is also related to or classified as diterpenoid  .  It is also related to or classified as carboxylic ester  . It is also related to or classified as phenols  .  It is also related to or classified as enone  . It is also related to or classified as ortho ester  . It is also related to or classified as monomethoxybenzene , organic heteropentacyclic compound .


The molecule <smiles>[C@H]1(O)C(=O)O[C@H](CS([O-])(=O)=O)[C@H]([C@@H]1O)O</smiles> <smiles>[C@H]1(O)C(=O)O[C@H](CS([O-])(=O)=O)[C@H]([C@@H]1O)O</smiles> is an organosulfonate oxoanion that is the conjugate base of 6-deoxy-6-sulfoglucono-1,5-lactone, obtained by deprotonation of the sulfo group; major species at pH 7.3. It is also related to or classified as organosulfonate oxoanion  .


The molecule <smiles>[C@@]12(C[C@@H]([C@@H]([C@@]3(N1C(N[C@](C2)([C@H](C4=CC(NC(N4)=O)=O)O)[H])=NC3)[H])C)OS(O)(=O)=O)[H]</smiles> <smiles>[C@@]12(C[C@@H]([C@@H]([C@@]3(N1C(N[C@](C2)([C@H](C4=CC(NC(N4)=O)=O)O)[H])=NC3)[H])C)OS(O)(=O)=O)[H]</smiles> is A triazaacenaphthylene that is 2,2a,3,4,5,5a,6,7-octahydro-1H-1,8,8b-triazaacenaphthylene which is substituted at positions 3, 4, and 7 by methyl, sulfooxy, and (2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)(hydroxy)methyl groups, respectively (the 2aS,3R,4S,5aS,7R stereoisomer in which the carbon bearing the hydroxy group has R configuration). It is a cyanotoxin produced by several species of freshwater cyanobacteria, such as Aphanizomenon ovalisporum. It has the role of protein synthesis inhibitor . It has the role of genotoxin . It has the role of hepatotoxic agent . It has the role of cyanotoxin . It is also related to or classified as alkaloid  .  It is also related to or classified as secondary alcohol  . It is also related to or classified as organic sulfate , pyrimidone , cylindrospermopsins , triazaacenaphthylene .


The molecule <smiles>C(C(C[C@@H]([C@@H](CS([O-])(=O)=O)O)O)=O)([O-])=O</smiles> <smiles>C(C(C[C@@H]([C@@H](CS([O-])(=O)=O)O)O)=O)([O-])=O</smiles> is A carbohydrate acid derivative anion obtained by deprotonation of the carboxy and sulfo groups of 2-dehydro-3,6-dideoxy-6-sulfo-D-gluconnic acid; major species at pH 7.3. It is also related to or classified as organosulfonate oxoanion  . It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as carbohydrate acid derivative anion .


The molecule <smiles>[C@H]1(O)C(=O)O[C@H](CS(O)(=O)=O)[C@H]([C@@H]1O)O</smiles> <smiles>[C@H]1(O)C(=O)O[C@H](CS(O)(=O)=O)[C@H]([C@@H]1O)O</smiles> is A carbohydrate sulfonate that is D-glucono-1,5-lactone in which the 6-hydroxy group is replaced by a sulfo group. It has the role of bacterial xenobiotic metabolite . Its functional parent is D-glucono-1,5-lactone . Its functional parent is quinovose . It is a conjugate acid of 6-deoxy-6-sulfoglucono-1,5-lactone(1-) .  It is also related to or classified as aldono-1,5-lactone  . It is also related to or classified as carbohydrate sulfonate .


The molecule <smiles>C(C(C[C@@H]([C@@H](CS(O)(=O)=O)O)O)=O)(O)=O</smiles> <smiles>C(C(C[C@@H]([C@@H](CS(O)(=O)=O)O)O)=O)(O)=O</smiles> is A carbohydrate sulfonate that is 3-deoxy-D-erythro-hex-2-ulosonic acid in which the hydroxy group at position 6 is replaced by a sulfo group. It has the role of bacterial xenobiotic metabolite . It is a conjugate acid of 2-dehydro-3,6-dideoxy-6-sulfo-D-gluconate(2-) . It is also related to or classified as carbohydrate sulfonate , carbohydrate acid derivative .


The molecule <smiles>C([C@@H]([C@H]([C@@H]([C@@H](CS(O)(=O)=O)O)O)O)O)(O)=O</smiles> <smiles>C([C@@H]([C@H]([C@@H]([C@@H](CS(O)(=O)=O)O)O)O)O)(O)=O</smiles> is A carbohydrate sulfonate that is D-gluconic acid in which the hydroxy group at position 6 is replaced by a sulfo group. It has the role of bacterial xenobiotic metabolite . Its functional parent is D-gluconic acid . It is a conjugate acid of 6-deoxy-6-sulfo-D-gluconate(2-) . It is also related to or classified as carbohydrate sulfonate , carbohydrate acid derivative .


The molecule <smiles>C(CCCCCCCCCC)CCC[C@H]([C@@H](O)[C@@H](NC(CCCCC)=O)COP(O)(=O)O)O</smiles> <smiles>C(CCCCCCCCCC)CCC[C@H]([C@@H](O)[C@@H](NC(CCCCC)=O)COP(O)(=O)O)O</smiles> is A ceramide 1-phosphate in which the sphingoid and acyl components are specified as phytosphingosine and hexanoyl respctively. Its functional parent is hexanoic acid . It is a conjugate acid of N-hexanoylphytosphingosine 1-phosphate(2-) . It is also related to or classified as N-acylphytosphingosine 1-phosphate  .


The molecule <smiles>OS(C[C@@H](C(=O)[H])O)(=O)=O</smiles> <smiles>OS(C[C@@H](C(=O)[H])O)(=O)=O</smiles> is A 3-sulfolactaldehyde in which the stereocentre at position 3 has R-configuration. It has the role of bacterial xenobiotic metabolite . It is a conjugate acid of D-3-sulfolactaldehyde(1-) . It is also related to or classified as 3-sulfolactaldehyde  .


The molecule <smiles>[O-]S(C[C@H](C(=O)[H])O)(=O)=O</smiles> <smiles>[O-]S(C[C@H](C(=O)[H])O)(=O)=O</smiles> is A 3-sulfolactaldehyde(1-) in which the stereocentre at position 3 has S-configuration. It is also related to or classified as 3-sulfolactaldehyde(1-)  .


The molecule <smiles>[O-]S(C[C@@H](C(=O)[H])O)(=O)=O</smiles> <smiles>[O-]S(C[C@@H](C(=O)[H])O)(=O)=O</smiles> is A 3-sulfolactaldehyde(1-) in which the stereocentre at position 3 has R-configuration. It is also related to or classified as 3-sulfolactaldehyde(1-)  .


The molecule <smiles>C(CCCCCCCCCC)CCC[C@H]([C@@H](O)[C@@H](NC(CCCCC)=O)CO)O</smiles> <smiles>C(CCCCCCCCCC)CCC[C@H]([C@@H](O)[C@@H](NC(CCCCC)=O)CO)O</smiles> is A phytoceramide in which the ceramide N-acyl group is specified as hexanoyl. Its functional parent is hexanoic acid . It is also related to or classified as phytoceramide  .


The molecule <smiles>C(CCCCCCCCCC)CCC[C@H]([C@@H](O)[C@@H](NC(CCCCC)=O)COP([O-])(=O)[O-])O</smiles> <smiles>C(CCCCCCCCCC)CCC[C@H]([C@@H](O)[C@@H](NC(CCCCC)=O)COP([O-])(=O)[O-])O</smiles> is an anionic phospholipid obtained by deprotonation of the phosphate OH groups of N-hexanoylphytosphingosine 1-phosphate; major species at pH 7.3. It is also related to or classified as N-acylphytosphingosine 1-phosphate(2-)  .


The molecule <smiles>CC(=CCC/C(=C/COP([O-])(=O)[O-])/C)C</smiles> <smiles>CC(=CCC/C(=C/COP([O-])(=O)[O-])/C)C</smiles> is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of geranyl phosphate; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .


The molecule <smiles>C([C@@H]([C@H]([C@@H]([C@@H](CS([O-])(=O)=O)O)O)O)O)([O-])=O</smiles> <smiles>C([C@@H]([C@H]([C@@H]([C@@H](CS([O-])(=O)=O)O)O)O)O)([O-])=O</smiles> is A carbohydrate acid derivative anion obtained by deprotonation of the carboxy and sulfo groups of 6-deoxy-6-sulfo-D-gluconic acid; major species at pH 7.3. It is also related to or classified as organosulfonate oxoanion  . It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as carbohydrate acid derivative anion .


The molecule <smiles>[C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)C4=CC=CC5C4O5)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O</smiles> <smiles>[C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)C4=CC=CC5C4O5)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O</smiles> is an acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of 2,3-epoxy-2,3-dihydrobenzoyl-CoA; major species at pH 7.3. It is also related to or classified as acyl-CoA(4-)  .


The molecule <smiles>CC(=CCC/C(=C/COP(O)(=O)O)/C)C</smiles> <smiles>CC(=CCC/C(=C/COP(O)(=O)O)/C)C</smiles> is A polyprenol phosphate that is geraniol in which the hydroxyl hydrogen is replaced by a phospho group. It has the role of human metabolite . Its functional parent is geraniol . It is a conjugate acid of geranyl phosphate(2-) . It is also related to or classified as polyprenol phosphate .


The molecule <smiles>C(/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)[C@H](/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)O</smiles> <smiles>C(/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)[C@H](/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)O</smiles> is A triterpenoid that is squalene substituted at position 12 by a hydroxy group (the R-enantiomer). It has the role of bacterial metabolite . It is also related to or classified as secondary alcohol  . It is also related to or classified as triterpenoid  .


The molecule <smiles>C1(O[C@@H]([C@H]([C@@H]([C@H]1NC(CO)=O)O)O)COP(O)(=O)O)O</smiles> <smiles>C1(O[C@@H]([C@H]([C@@H]([C@H]1NC(CO)=O)O)O)COP(O)(=O)O)O</smiles> is an N-acyl-D-glucosamine phosphate in which the N-acyl group is specified as glycoloyl and the phosphate group is located at position 6. An intermediate in the N-glycolylneuraminic acid (Neu5Gc) degradation pathway. It is also related to or classified as N-acyl-D-glucosamine phosphate .


The molecule <smiles>N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP(OP(OC[C@H]4O[C@@H](N5CC(=CC=C5)C(=O)N)[C@@H]([C@@H]4O)O)(=O)[O-])(=O)[O-])[C@H]([C@H]3O)O</smiles> <smiles>N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP(OP(OC[C@H]4O[C@@H](N5CC(=CC=C5)C(=O)N)[C@@H]([C@@H]4O)O)(=O)[O-])(=O)[O-])[C@H]([C@H]3O)O</smiles> is an organophosphate oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 2-hydro-beta-NAD; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .


The molecule <smiles>N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP(OP(OC[C@H]4O[C@@H](N5C=C(C=CC5)C(=O)N)[C@@H]([C@@H]4O)O)(=O)O)(=O)O)[C@H]([C@H]3OP(=O)(O)O)O</smiles> <smiles>N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP(OP(OC[C@H]4O[C@@H](N5C=C(C=CC5)C(=O)N)[C@@H]([C@@H]4O)O)(=O)O)(=O)O)[C@H]([C@H]3OP(=O)(O)O)O</smiles> is an NADP obtained by formal reduction of the 1,6-position in the pyridine ring of beta-NADP. It is a conjugate acid of 6-hydro-beta-NADP(4-) . It is also related to or classified as NAD(P)H , NADP .


The molecule <smiles>N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP(OP(OC[C@H]4O[C@@H](N5CC(=CC=C5)C(=O)N)[C@@H]([C@@H]4O)O)(=O)O)(=O)O)[C@H]([C@H]3OP(=O)(O)O)O</smiles> <smiles>N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP(OP(OC[C@H]4O[C@@H](N5CC(=CC=C5)C(=O)N)[C@@H]([C@@H]4O)O)(=O)O)(=O)O)[C@H]([C@H]3OP(=O)(O)O)O</smiles> is an NADP obtained by formal reduction of the 1,2-position in the pyridine ring of beta-NADP. It is a conjugate acid of 2-hydro-beta-NADP(4-) . It is also related to or classified as NAD(P)H , NADP .


The molecule <smiles>N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP(OP(OC[C@H]4O[C@@H](N5CC(=CC=C5)C(=O)N)[C@@H]([C@@H]4O)O)(=O)O)(=O)O)[C@H]([C@H]3O)O</smiles> <smiles>N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP(OP(OC[C@H]4O[C@@H](N5CC(=CC=C5)C(=O)N)[C@@H]([C@@H]4O)O)(=O)O)(=O)O)[C@H]([C@H]3O)O</smiles> is an NADP obtained by formal reduction of the 1,2-position in the pyridine ring of beta-NAD. It is a conjugate acid of 2-hydro-beta-NAD(2-) . It is also related to or classified as NAD , NAD(P)H .


The molecule <smiles>C=1C=C(C=C(C1OC)OC)C[O]</smiles> <smiles>C=1C=C(C=C(C1OC)OC)C[O]</smiles> is an organic radical obtained by abstraction of the hydroxy proton from (3,4-dimethoxyphenyl)methanol. It is also related to or classified as organic radical .


The molecule <smiles>N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP(OP(OC[C@H]4O[C@@H](N5CC(=CC=C5)C(=O)N)[C@@H]([C@@H]4O)O)(=O)[O-])(=O)[O-])[C@H]([C@H]3OP(=O)([O-])[O-])O</smiles> <smiles>N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP(OP(OC[C@H]4O[C@@H](N5CC(=CC=C5)C(=O)N)[C@@H]([C@@H]4O)O)(=O)[O-])(=O)[O-])[C@H]([C@H]3OP(=O)([O-])[O-])O</smiles> is an organophosphate oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 2-hydro-beta-NADP; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .


The molecule <smiles>N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP(OP(OC[C@H]4O[C@@H](N5C=C(C=CC5)C(=O)N)[C@@H]([C@@H]4O)O)(=O)O)(=O)O)[C@H]([C@H]3O)O</smiles> <smiles>N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP(OP(OC[C@H]4O[C@@H](N5C=C(C=CC5)C(=O)N)[C@@H]([C@@H]4O)O)(=O)O)(=O)O)[C@H]([C@H]3O)O</smiles> is an NADP obtained by formal reduction of the 1,6-position in the pyridine ring of beta-NAD. It is a conjugate acid of 6-hydro-beta-NAD(2-) . It is also related to or classified as NAD , NAD(P)H .


The molecule <smiles>N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP(OP(OC[C@H]4O[C@@H](N5C=C(C=CC5)C(=O)N)[C@@H]([C@@H]4O)O)(=O)[O-])(=O)[O-])[C@H]([C@H]3OP(=O)([O-])[O-])O</smiles> <smiles>N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP(OP(OC[C@H]4O[C@@H](N5C=C(C=CC5)C(=O)N)[C@@H]([C@@H]4O)O)(=O)[O-])(=O)[O-])[C@H]([C@H]3OP(=O)([O-])[O-])O</smiles> is an organophosphate oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 6-hydro-beta-NADP; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .


The molecule <smiles>[C@@H]1(N2C(NC(=O)C(=C2)C)=O)O[C@H](COP(OP(O[C@@H]3C=C(C(=O)[C@H](O3)C)O)([O-])=O)([O-])=O)[C@H](C1)O</smiles> <smiles>[C@@H]1(N2C(NC(=O)C(=C2)C)=O)O[C@H](COP(OP(O[C@@H]3C=C(C(=O)[C@H](O3)C)O)([O-])=O)([O-])=O)[C@H](C1)O</smiles> is A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of dTDP-(2R,6S)-4-hydroxy-2-methyl-3-oxo-3,6-dihydro-2H-pyran-3(6H)-one; major species at pH 7.3. Its functional parent is dTDP-alpha-D-glucose(2-) . It is also related to or classified as nucleotide-sugar oxoanion .


The molecule <smiles>[C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)C4=CC(=CC=C4O)O)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O</smiles> <smiles>[C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)C4=CC(=CC=C4O)O)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O</smiles> is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2,5-dihydroxybenzoic acid. Its functional parent is 2,5-dihydroxybenzoic acid . It is a conjugate acid of 2,5-dihydroxybenzoyl-CoA(4-) . It is also related to or classified as acyl-CoA  .


The molecule <smiles>[C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)C4=CC(=CC=C4O)O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O</smiles> <smiles>[C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)C4=CC(=CC=C4O)O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O</smiles> is an acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of 2,5-dihydroxybenzoyl-CoA; major species at pH 7.3. It is also related to or classified as acyl-CoA(4-)  .


The molecule <smiles>O(CC(COC(CC)=O)OC(=O)CC)C(CC)=O</smiles> <smiles>O(CC(COC(CC)=O)OC(=O)CC)C(CC)=O</smiles> is A triglyceride obtained by formal acylation of the three hydroxy groups of glycerol by propionic acid. It has the role of flavouring agent . It is also related to or classified as triglyceride  . It is also related to or classified as propanoate ester  .


The molecule <smiles>N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP(OP(OC[C@H]4O[C@@H](N5C=C(C=CC5)C(=O)N)[C@@H]([C@@H]4O)O)(=O)[O-])(=O)[O-])[C@H]([C@H]3O)O</smiles> <smiles>N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP(OP(OC[C@H]4O[C@@H](N5C=C(C=CC5)C(=O)N)[C@@H]([C@@H]4O)O)(=O)[O-])(=O)[O-])[C@H]([C@H]3O)O</smiles> is an organophosphate oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 6-hydro-beta-NAD; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .


The molecule <smiles>C1=2C=CC(=CC1=[O+]C3=C(N2)C=C(C(=C3)N)C)N(CC)CC.C1=2C=CC(=CC1=[O+]C3=C(N2)C=C(C(=C3)N)C)N(CC)CC.[Zn-2](Cl)(Cl)(Cl)Cl</smiles> <smiles>C1=2C=CC(=CC1=[O+]C3=C(N2)C=C(C(=C3)N)C)N(CC)CC.C1=2C=CC(=CC1=[O+]C3=C(N2)C=C(C(=C3)N)C)N(CC)CC.[Zn-2](Cl)(Cl)(Cl)Cl</smiles> is an organic tetrachlorozincate salt having 3-amino-7-(diethylamino)-2-methylphenoxazin-5-ium as the counterion. Used for the staining of reticulocytes and platelets. It has the role of fluorochrome . It has the role of histological dye . It is also related to or classified as organic tetrachlorozincate salt .


The molecule <smiles>[Zn-2](Cl)(Cl)(Cl)Cl</smiles> <smiles>[Zn-2](Cl)(Cl)(Cl)Cl</smiles> is A divalent inorganic anion composed of four chlorine atoms bound to a central zinc atom. It is also related to or classified as zinc coordination entity , divalent inorganic anion .


The molecule <smiles>[C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC([C@H](CC)C)=O)=O)=O)O)(C)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O</smiles> <smiles>[C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC([C@H](CC)C)=O)=O)=O)O)(C)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O</smiles> is A 2-methylbutanoyl-CoA(4-) obtained by deprotonation of phosphate and diphosphate functions of (S)-2-methylbutanoyl-CoA; major species at pH 7.3. It is also related to or classified as 2-methylbutanoyl-CoA(4-)  .


The molecule <smiles>COCCOCCOCCOCCO[Si](C)(C)C</smiles> <smiles>COCCOCCOCCOCCO[Si](C)(C)C</smiles> is A polyether that is tetraethylene glycol in which the terminal hydroxy hydrogens are replaced by methyl and trimethylsilyl groups. Its functional parent is tetraethylene glycol . It is also related to or classified as polyether  . It is also related to or classified as silyl ether  .


The molecule <smiles>C(C=1C=CC=CC1)(C=2C=CC(=CC2)N(CC)CC)=C3C=CC(C=C3)=[N+](CC)CC.OS([O-])(=O)=O</smiles> <smiles>C(C=1C=CC=CC1)(C=2C=CC(=CC2)N(CC)CC)=C3C=CC(C=C3)=[N+](CC)CC.OS([O-])(=O)=O</smiles> is an organic hydrogensulfate salt having 4-{[4-(diethylamino)phenyl](phenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium as the counterion. It has the role of antibacterial agent . It has the role of antiseptic drug . It has the role of fluorochrome . It has the role of poison . It has the role of histological dye . It has the role of environmental contaminant . It is also related to or classified as organic hydrogensulfate salt .


The molecule <smiles>C1=2C=CC(=CC1=[O+]C3=C(N2)C=C(C(=C3)N)C)N(CC)CC</smiles> <smiles>C1=2C=CC(=CC1=[O+]C3=C(N2)C=C(C(=C3)N)C)N(CC)CC</smiles> is an organic cation that is phenoxazin-5-ium substituted by methyl, amino and diethylamino groups at positions 2, 3 and 7 respectively. The tetrachlorozincate salt salt is the histological dye 'brilliant cresyl blue'. It is also related to or classified as organic cation .


The molecule <smiles>O1C2(CCC1=O)C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2</smiles> <smiles>O1C2(CCC1=O)C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2</smiles> is an oxaspiro compound that is 1-oxaspiro[4.5]deca-6,9-diene-2,8-dione carrying two additional tert-butyl substituents at positions 7 and 9. It is also related to or classified as lactone  .   It is also related to or classified as enone  . It is also related to or classified as oxaspiro compound , cyclic ketone .


The molecule <smiles>C(C=1C=CC=CC1)(C=2C=CC(=CC2)N(CC)CC)=C3C=CC(C=C3)=[N+](CC)CC</smiles> <smiles>C(C=1C=CC=CC1)(C=2C=CC(=CC2)N(CC)CC)=C3C=CC(C=C3)=[N+](CC)CC</smiles> is an iminium ion that is the cationic component of the histological dye 'brilliant green'. It has the role of antibacterial agent . It has the role of antiseptic drug . It has the role of fluorochrome . It has the role of poison . It has the role of histological dye . It has the role of environmental contaminant . It is also related to or classified as iminium ion .


The molecule <smiles>C1=CC=CC2=C1C(C3=C(C2=O)C(=C(C(=C3N)O)S(O)(=O)=O)O)=O</smiles> <smiles>C1=CC=CC2=C1C(C3=C(C2=O)C(=C(C(=C3N)O)S(O)(=O)=O)O)=O</smiles> is A member of the class of hydroxyanthraquinones that is 1,3-dihydroxyanthraquinone carrying additional sulfo and amino substituents at positions 2 and 4 respectively. The sodium salt is the histological dye 'nuclear fast red'. It has the role of fluorochrome . It has the role of histological dye . It is a conjugate acid of nuclear fast red(1-) .  It is also related to or classified as dihydroxyanthraquinone  . It is also related to or classified as primary arylamine  . It is also related to or classified as arenesulfonic acid .


The molecule <smiles>C1=CC=CC2=C1C(C3=C(C2=O)C(=C(C(=C3N)O)S([O-])(=O)=O)O)=O</smiles> <smiles>C1=CC=CC2=C1C(C3=C(C2=O)C(=C(C(=C3N)O)S([O-])(=O)=O)O)=O</smiles> is an organosulfonate oxoanion that is the conjugate base of nuclear fast red free acid, obtained by deprotonation of the sulfo group. It is also related to or classified as organosulfonate oxoanion  .


The molecule <smiles>OC(C(CN(C)C)N)=O</smiles> <smiles>OC(C(CN(C)C)N)=O</smiles> is an alanine derivative obtained by replacement of one of the methyl hydrogens of alanine by a dimethylamino group. It is also related to or classified as alanine derivative , leucine derivative , tertiary amino compound , non-proteinogenic alpha-amino acid .


The molecule <smiles>[Si](OC=1C=C(C(O[Si](C)(C)C)=O)C=CC1OC)(C)(C)C</smiles> <smiles>[Si](OC=1C=C(C(O[Si](C)(C)C)=O)C=CC1OC)(C)(C)C</smiles> is A benzoate ester that is 3-hydroxy-4-methoxybenzoic acid in which the carboxy and phenolic hydrogens are replaced by trimethylsilyl groups. Its functional parent is 3-hydroxy-4-methoxybenzoic acid .   It is also related to or classified as silyl ether  . It is also related to or classified as monomethoxybenzene , benzoate ester .


The molecule <smiles>C1=2C=CC(=CC1=[O+]C3=C(N2)C(=CC(=C3O)O)C(=O)N)N(CC)CC.[Cl-]</smiles> <smiles>C1=2C=CC(=CC1=[O+]C3=C(N2)C(=CC(=C3O)O)C(=O)N)N(CC)CC.[Cl-]</smiles> is an organic chloride salt composed of 1-carbamoyl-7-(diethylamino)-3,4-dihydroxyphenoxazin-5-ium and chloride ions in a 1:1 ratio. A histological dye used in solution with an iron alum mordant as a hematoxylin substitute in the H&E stain. It has the role of fluorochrome . It has the role of histological dye . It is also related to or classified as organic chloride salt .


The molecule <smiles>C1=CC=CC2=C1C(C3=C(C2=O)C(=C(C(=C3N)O)S([O-])(=O)=O)O)=O.[Na+]</smiles> <smiles>C1=CC=CC2=C1C(C3=C(C2=O)C(=C(C(=C3N)O)S([O-])(=O)=O)O)=O.[Na+]</smiles> is an organic sodium salt that is the monosodium salt of 4-amino-1,3-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid. It forms bright red lakes with calcium and is a useful red nuclear staining lake with aluminum. 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>N(CCC)(CC)CC</smiles> <smiles>N(CCC)(CC)CC</smiles> is A tertiary amine that is propylamine in which the two amino hydrogens are replaced by ethyl groups. It is also related to or classified as tertiary amine  .


The molecule <smiles>O=C(N(CCC)CCC)[H]</smiles> <smiles>O=C(N(CCC)CCC)[H]</smiles> is A formamide in which the amide hydrogens of formamide are replaced by propyl groups. It is also related to or classified as formamides .


The molecule <smiles>C12=CC=C(C=C1C=C(C(=C2O)/N=N/C=3C=CC(=CC3)/N=N/C=4C=CC(=CC4)S([O-])(=O)=O)S([O-])(=O)=O)NC(C=5C=CC=CC5)=O</smiles> <smiles>C12=CC=C(C=C1C=C(C(=C2O)/N=N/C=3C=CC(=CC3)/N=N/C=4C=CC(=CC4)S([O-])(=O)=O)S([O-])(=O)=O)NC(C=5C=CC=CC5)=O</smiles> is an organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of Sirius red 4B (acid form). It is also related to or classified as organosulfonate oxoanion  .


The molecule <smiles>[C@H]1(CCC(N1C)=O)C(=O)OC</smiles> <smiles>[C@H]1(CCC(N1C)=O)C(=O)OC</smiles> is an alpha-amino acid ester that is the methyl ester of 1-methyl-5-oxo-L-proline. It is also related to or classified as alpha-amino acid ester  . It is also related to or classified as L-proline derivative .


The molecule <smiles>C12=CC=C(C=C1C=C(C(=C2O)/N=N/C=3C=CC(=CC3)/N=N/C=4C=CC(=CC4)S(O)(=O)=O)S(O)(=O)=O)NC(C=5C=CC=CC5)=O</smiles> <smiles>C12=CC=C(C=C1C=C(C(=C2O)/N=N/C=3C=CC(=CC3)/N=N/C=4C=CC(=CC4)S(O)(=O)=O)S(O)(=O)=O)NC(C=5C=CC=CC5)=O</smiles> is A naphthalenesulfonic acid that is 7-amino-4-hydroxy-3-({4-[(4-sulfophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonic acid in which one of the amino hydrogens is replaced by a benzoyl group. The disodium salt is the histological dye 'Sirius red 4B'. It has the role of fluorochrome . It has the role of poison . It has the role of histological dye . It has the role of environmental contaminant . It is a conjugate acid of Sirius red 4B(2-) . It is also related to or classified as azobenzenes  . It is also related to or classified as benzamides , naphthols , naphthalenesulfonic acid , bis(azo) compound .


The molecule <smiles>C1=2C(=C(C=C3C(N(C(C(=CC=C1)C23)=O)C=4C=CC(=C(C4)C(=O)O)O)=O)S(O)(=O)=O)N</smiles> <smiles>C1=2C(=C(C=C3C(N(C(C(=CC=C1)C23)=O)C=4C=CC(=C(C4)C(=O)O)O)=O)S(O)(=O)=O)N</smiles> is A member of the class of benzoisoquinolines that is 6-amino-1,3-dioxo-5-sulfobenzo[de]isoquinoline substituted at position 2 by a 3-carboxy-4-hydroxyphenyl group. The disodium salt is the histological dye 'Chrome fast yellow 8GL'. It has the role of fluorochrome . It has the role of histological dye . It is a conjugate acid of Chrome fast yellow 8GL(2-) .   It is also related to or classified as dicarboximide  .  It is also related to or classified as primary arylamine  . It is also related to or classified as monohydroxybenzoic acid , arenesulfonic acid , benzoisoquinoline .


The molecule <smiles>C12=C(C=C(C(=C1O)/N=N/C3=CC=C(C=C3OC)C4=CC(=C(C=C4)/N=N/C5=C(C=C6C(=C5O)C(=CC(=C6)S(O)(=O)=O)N)S(O)(=O)=O)OC)S(O)(=O)=O)C=C(C=C2N)S(O)(=O)=O</smiles> <smiles>C12=C(C=C(C(=C1O)/N=N/C3=CC=C(C=C3OC)C4=CC(=C(C=C4)/N=N/C5=C(C=C6C(=C5O)C(=CC(=C6)S(O)(=O)=O)N)S(O)(=O)=O)OC)S(O)(=O)=O)C=C(C=C2N)S(O)(=O)=O</smiles> is A ring assembly consisting of two 5-amino-4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-2,7-disulfonic acid units joined by a 4,4'-linkage. The tetrasodium salt is the histological dye 'Pontamine sky blue 5B'. It has the role of carcinogenic agent . It has the role of fluorochrome . It has the role of histological dye . It is a conjugate acid of Pontamine sky blue 5B(4-) . It is also related to or classified as azobenzenes  . It is also related to or classified as naphthols , aromatic ether , ring assembly , aminonaphthalenesulfonic acid , bis(azo) compound .


The molecule <smiles>C1=2C(=C(C=C3C(N(C(C(=CC=C1)C23)=O)C=4C=CC(=C(C4)C(=O)[O-])O)=O)S([O-])(=O)=O)N</smiles> <smiles>C1=2C(=C(C=C3C(N(C(C(=CC=C1)C23)=O)C=4C=CC(=C(C4)C(=O)[O-])O)=O)S([O-])(=O)=O)N</smiles> is an organosulfonate oxoanion obtained by deprotonation of the sulfo and carboxy groups of Chrome fast yellow 8GL (acid form).  It is also related to or classified as organosulfonate oxoanion  . It is also related to or classified as monohydroxybenzoate .


The molecule <smiles>C12=C(C(=CC(=C1N)/N=N/C3=CC=C(C=C3)C4=CC=C(C=C4)/N=N/C5=CC(=C6C(=C5O)C=CC=C6)S([O-])(=O)=O)S([O-])(=O)=O)C=CC=C2</smiles> <smiles>C12=C(C(=CC(=C1N)/N=N/C3=CC=C(C=C3)C4=CC=C(C=C4)/N=N/C5=CC(=C6C(=C5O)C=CC=C6)S([O-])(=O)=O)S([O-])(=O)=O)C=CC=C2</smiles> is an organosulfonate oxoanion obtained by deprotonation of the sulfo groups of Congo corinth (acid form). It is also related to or classified as organosulfonate oxoanion  .


The molecule <smiles>C(\C=1C=CC(=CC1)NCC)(/C=2C=C(C(=CC2)NCC)C)=C/3\C=C/C(/C=C3)=N\CC.Cl</smiles> <smiles>C(\C=1C=CC(=CC1)NCC)(/C=2C=C(C(=CC2)NCC)C)=C/3\C=C/C(/C=C3)=N\CC.Cl</smiles> is A hydrochloride obtained by combining Hoffman's violet free base with one molar equivalent of hydrogen chloride. A specific stain for animal chromosomes. It has the role of fluorochrome . It has the role of histological dye . It is also related to or classified as hydrochloride .


The molecule <smiles>C12=C(C(=CC(=C1N)/N=N/C3=CC=C(C=C3)C4=CC=C(C=C4)/N=N/C5=CC(=C6C(=C5O)C=CC=C6)S(O)(=O)=O)S(O)(=O)=O)C=CC=C2</smiles> <smiles>C12=C(C(=CC(=C1N)/N=N/C3=CC=C(C=C3)C4=CC=C(C=C4)/N=N/C5=CC(=C6C(=C5O)C=CC=C6)S(O)(=O)=O)S(O)(=O)=O)C=CC=C2</smiles> is an aminonaphthalenesulfonic acid that is 3,3'-[[1,1'-biphenyl]-4,4'-diylbis(diazene-2,1-diyl)]di(naphthalene-1-sulfonic acid) in which the two hydrogens at the 4-positions on the naphthalene rings are placed by amino and hydroxy groups. The disodium salt is the histological dye 'Congo corinth'. It has the role of fluorochrome . It has the role of histological dye . It is a conjugate acid of Congo corinth(2-) . It is also related to or classified as azobenzenes  . It is also related to or classified as naphthols , ring assembly , aminonaphthalenesulfonic acid , bis(azo) compound .


The molecule <smiles>C1=2C(=C(C=C3C(N(C(C(=CC=C1)C23)=O)C=4C=CC(=C(C4)C(=O)[O-])O)=O)S([O-])(=O)=O)N.[Na+].[Na+]</smiles> <smiles>C1=2C(=C(C=C3C(N(C(C(=CC=C1)C23)=O)C=4C=CC(=C(C4)C(=O)[O-])O)=O)S([O-])(=O)=O)N.[Na+].[Na+]</smiles> is an organic sodium salt resulting from the formal condensation of Chrome fast yellow 8GL (acid form) with two equivalents of sodium hydroxide. 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>C12=C(C(=CC(=C1N)/N=N/C3=CC=C(C=C3)C4=CC=C(C=C4)/N=N/C5=CC(=C6C(=C5O)C=CC=C6)S([O-])(=O)=O)S([O-])(=O)=O)C=CC=C2.[Na+].[Na+]</smiles> <smiles>C12=C(C(=CC(=C1N)/N=N/C3=CC=C(C=C3)C4=CC=C(C=C4)/N=N/C5=CC(=C6C(=C5O)C=CC=C6)S([O-])(=O)=O)S([O-])(=O)=O)C=CC=C2.[Na+].[Na+]</smiles> is an organic sodium salt resulting from the formal condensation of Congo corinth (acid form) with two equivalents of sodium hydroxide. A histological dye used to stain frozen sections for rapid diagnosis and to demonstrate amuloid. 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>C1=2C=CC(=CC1=[O+]C3=C(N2)C(=CC(=C3O)O)C(=O)N)N(CC)CC</smiles> <smiles>C1=2C=CC(=CC1=[O+]C3=C(N2)C(=CC(=C3O)O)C(=O)N)N(CC)CC</smiles> is an organic cation that is 3,4-dihydroxyphenoxazin-5-ium carrying additional carbamoyl and diethylamino groups at positions 1 and 7 respectively. The chloride salt is the histological dye 'Celestin blue B'. It is also related to or classified as organic cation .


The molecule <smiles>C12=CC=C(C=C1C=C(C(=C2O)/N=N/C=3C=CC(=CC3)/N=N/C=4C=CC(=CC4)S([O-])(=O)=O)S([O-])(=O)=O)NC(C=5C=CC=CC5)=O.[Na+].[Na+]</smiles> <smiles>C12=CC=C(C=C1C=C(C(=C2O)/N=N/C=3C=CC(=CC3)/N=N/C=4C=CC(=CC4)S([O-])(=O)=O)S([O-])(=O)=O)NC(C=5C=CC=CC5)=O.[Na+].[Na+]</smiles> is an organic sodium salt resulting from the formal condensation of Sirius red 4B (acid form) with two equivalents of sodium hydroxide. Used as the plasma stain in some trichrome staining methods. It has the role of fluorochrome . It has the role of poison . It has the role of histological dye . It has the role of environmental contaminant . It is also related to or classified as organic sodium salt .


The molecule <smiles>C1=C(C=C(C=C1O)Cl)Cl</smiles> <smiles>C1=C(C=C(C=C1O)Cl)Cl</smiles> is A dichlorophenol in which the two chloro substituents are located at positions 3 and 5. It is also related to or classified as dichlorophenol .


The molecule <smiles>C1(=CC(=C(C=C1OC)/N=N/C2=CC(=C(C=C2)OC)S([O-])(=O)=O)C)N</smiles> <smiles>C1(=CC(=C(C=C1OC)/N=N/C2=CC(=C(C=C2)OC)S([O-])(=O)=O)C)N</smiles> is an organosulfonate oxoanion obtained by deprotonation of the sulfo group of 5-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-2-methoxybenzene-1-sulfonic acid. It is also related to or classified as organosulfonate oxoanion  .


The molecule <smiles>O=[Os](=O)(=O)=O</smiles> <smiles>O=[Os](=O)(=O)=O</smiles> is an osmium coordination entity consisting of four oxygen atoms bound to a central osmium atom via covalent double bonds. It has the role of NMR chemical shift reference compound . It has the role of fixative . It has the role of oxidising agent . It has the role of poison . It has the role of histological dye . It is also related to or classified as osmium coordination entity .


The molecule <smiles>[Pb](Cl)Cl</smiles> <smiles>[Pb](Cl)Cl</smiles> is an inorganic chloride consisting of two chlorine atoms covalently bound to a central lead atom. It is also related to or classified as inorganic chloride , lead coordination entity .


The molecule <smiles>C1=C(C(=CC(=C1C)N=NC2=C3C(=CC=C2O)C=CC=C3)C)N=NC4=C(C=CC(=C4)C)C</smiles> <smiles>C1=C(C(=CC(=C1C)N=NC2=C3C(=CC=C2O)C=CC=C3)C)N=NC4=C(C=CC(=C4)C)C</smiles> is A bis(azo) compound that is 2-naphthol substituted at position 1 by a {4-[(2,5-dimethylphenyl)diazenyl]-2,5-dimethylphenyl}diazenyl group. A fat-soluble dye predominantly used for demonstrating triglycerides in frozen sections and for staining of protein bound lipids in paraffin sections. It has the role of histological dye . Its functional parent is 2-naphthol . It is also related to or classified as azobenzenes  . It is also related to or classified as naphthols , bis(azo) compound .


The molecule <smiles>C1(=CC(=C(C=C1OC)/N=N/C2=CC(=C(C=C2)OC)S(O)(=O)=O)C)N</smiles> <smiles>C1(=CC(=C(C=C1OC)/N=N/C2=CC(=C(C=C2)OC)S(O)(=O)=O)C)N</smiles> is an arenesulfonic acid that is 2-methoxybenzenesulfonic acid substituted at position 5 by a (4-amino-5-methoxy-2-methylphenyl)diazenyl group. The sodium salt is the histological dye 'Sirius scarlet GG'. It has the role of fluorochrome . It has the role of histological dye . It is a conjugate acid of 5-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-2-methoxybenzene-1-sulfonate . It is also related to or classified as azobenzenes  . It is also related to or classified as arenesulfonic acid , aromatic ether , substituted aniline .


The molecule <smiles>OC(=O)CNC1=C(OCCOC2=CC(OC)=CC=C2N(CC(=O)O)CC(=O)O)C=C(C=C1)C3=C4C=C(F)C(=O)C=C4OC5=CC(O)=C(F)C=C35</smiles> <smiles>OC(=O)CNC1=C(OCCOC2=CC(OC)=CC=C2N(CC(=O)O)CC(=O)O)C=C(C=C1)C3=C4C=C(F)C(=O)C=C4OC5=CC(O)=C(F)C=C35</smiles> is A member of the class of xanthenes that is used as a Zn(2+)-selective fluorescent indicator. It has the role of chelator . It has the role of visual indicator . It has the role of histological dye .  It is also related to or classified as phenols  .  It is also related to or classified as organofluorine compound  . It is also related to or classified as tricarboxylic acid , aromatic ether , xanthenes , cyclic ketone , substituted aniline .


The molecule <smiles>C(\C)(/CCC=C(C)C)=C\CC\C(=C\COP([O-])(=O)[O-])\C</smiles> <smiles>C(\C)(/CCC=C(C)C)=C\CC\C(=C\COP([O-])(=O)[O-])\C</smiles> is an organophosphate oxoanion that is the dianion obtained by removal of the two protons from the monophosphate group of (2E,6E)-farnesyl monophosphate. Major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .


The molecule <smiles>C1(=CC(=C(C=C1OC)/N=N/C2=CC(=C(C=C2)OC)S([O-])(=O)=O)C)N.[Na+]</smiles> <smiles>C1(=CC(=C(C=C1OC)/N=N/C2=CC(=C(C=C2)OC)S([O-])(=O)=O)C)N.[Na+]</smiles> is an organic sodium salt that is the monosodium salt of 5-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-2-methoxybenzene-1-sulfonic acid. Occasionally used for the selective staining of amyloid. 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>C1=C(C2=C(C(=C1)N=NC3=C4C5=C(C=C3)NC(NC5=CC=C4)(C)C)C=CC=C2)N=NC6=CC=CC=C6</smiles> <smiles>C1=C(C2=C(C(=C1)N=NC3=C4C5=C(C=C3)NC(NC5=CC=C4)(C)C)C=CC=C2)N=NC6=CC=CC=C6</smiles> is A member of the class of perimidines that is 2,2-dimethyl-2,3-dihydro-1H-perimidine carrying a [4-(phenyldiazenyl)naphthalen-1-yl]diazenyl substituent at position 6. A fat-soluble dye predominantly used for demonstrating triglycerides in frozen sections and for staining of protein bound lipids in paraffin sections. It has the role of histological dye . It is also related to or classified as azobenzenes  . It is also related to or classified as perimidines , bis(azo) compound .


The molecule <smiles>C(\C=1C=CC(=CC1)NCC)(/C=2C=C(C(=CC2)NCC)C)=C/3\C=C/C(/C=C3)=N\CC.[H+]</smiles> <smiles>C(\C=1C=CC(=CC1)NCC)(/C=2C=C(C(=CC2)NCC)C)=C/3\C=C/C(/C=C3)=N\CC.[H+]</smiles> is an organic cation obtained by protonation of the free base form of Hoffman's violet. It is a conjugate acid of Hoffman's violet free base . It is also related to or classified as organic cation .


The molecule <smiles>[C@@]1(O[C@]([C@@H]([C@H](C1)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])(C([O-])=O)O[C@@H]([C@H]([C@@]2(O[C@](O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(CCCCCCCCCCCCCCCCC)=O)CO)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O[C@@H]6O[C@@H]([C@@H]([C@@H]([C@H]6O)O)O)CO)NC(C)=O)(C[C@H](O)[C@H]2NC(=O)C)C([O-])=O)[H])O)CO</smiles> <smiles>[C@@]1(O[C@]([C@@H]([C@H](C1)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])(C([O-])=O)O[C@@H]([C@H]([C@@]2(O[C@](O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(CCCCCCCCCCCCCCCCC)=O)CO)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O[C@@H]6O[C@@H]([C@@H]([C@@H]([C@H]6O)O)O)CO)NC(C)=O)(C[C@H](O)[C@H]2NC(=O)C)C([O-])=O)[H])O)CO</smiles> is an anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of ganglioside GD1b(d18:1/C18:0); major species at pH 7.3. It is also related to or classified as beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(2-)  . It is also related to or classified as anionic ganglioside .


The molecule <smiles>[C@@]1(O[C@]([C@@H]([C@H](C1)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])(C(O)=O)O[C@@H]([C@H]([C@@]2(O[C@](O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(CCCCCCCCCCCCCCCCC)=O)CO)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O[C@@H]6O[C@@H]([C@@H]([C@@H]([C@H]6O)O)O)CO)NC(C)=O)(C[C@H](O)[C@H]2NC(=O)C)C(O)=O)[H])O)CO</smiles> <smiles>[C@@]1(O[C@]([C@@H]([C@H](C1)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])(C(O)=O)O[C@@H]([C@H]([C@@]2(O[C@](O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(CCCCCCCCCCCCCCCCC)=O)CO)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O[C@@H]6O[C@@H]([C@@H]([C@@H]([C@H]6O)O)O)CO)NC(C)=O)(C[C@H](O)[C@H]2NC(=O)C)C(O)=O)[H])O)CO</smiles> is A beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer in which the ceramide N-acyl group is specified as octadecanoyl. It is a conjugate acid of beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(d18:1/18:0)(2-) . It is also related to or classified as beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer  .


The molecule <smiles>C(\C=1C=CC(=CC1)NCC)(/C=2C=C(C(=CC2)NCC)C)=C/3\C=C/C(/C=C3)=N\CC</smiles> <smiles>C(\C=1C=CC(=CC1)NCC)(/C=2C=C(C(=CC2)NCC)C)=C/3\C=C/C(/C=C3)=N\CC</smiles> is A aromatic amine, the hydrochloride salt of which is the histological dye 'Hoffman's violet' (used as a specific stain for animal chromosomes). It has the role of fluorochrome . It has the role of histological dye . It is also related to or classified as imine  . It is also related to or classified as aromatic amine , secondary amino compound , olefinic compound .


The molecule <smiles>C=12NC3(C(C4=NC(=CC=5NC=6C(=C7N=C(C1)[C@H]([C@@H]7CCC([O-])=O)C)[C-](C(C6C5C)=O)C(=O)OC)C(=C4C)CC)O3)C(=C2C)C=C</smiles> <smiles>C=12NC3(C(C4=NC(=CC=5NC=6C(=C7N=C(C1)[C@H]([C@@H]7CCC([O-])=O)C)[C-](C(C6C5C)=O)C(=O)OC)C(=C4C)CC)O3)C(=C2C)C=C</smiles> is A cyclic tetrapyrrole anion obtained by removal of two protons from the carboxy and acidic methylene groups of epoxypheophorbide a. It is also related to or classified as cyclic tetrapyrrole anion .


The molecule <smiles>C(\C)(/CCC=C(C)C)=C\CC\C(=C\COP(O)(=O)O)\C</smiles> <smiles>C(\C)(/CCC=C(C)C)=C\CC\C(=C\COP(O)(=O)O)\C</smiles> is A member of the class of farnesyl phosphates that is the monophosphatr derivative of (2E,6E)-farnesol. It has the role of PPARalpha agonist . It has the role of PPARbeta/delta agonist . It has the role of plant metabolite . It has the role of rat metabolite . Its functional parent is (2-trans,6-trans)-farnesol . It is a conjugate acid of (2E,6E)-farnesyl monophosphate(2-) . It is also related to or classified as farnesyl phosphate .


The molecule <smiles>[C@@]1(O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCCCC)[C@@H]([C@H]3O)O)CO)CO)O[C@H]4[C@@H]([C@H]([C@@H](O)[C@H](O4)CO)O[C@H]5[C@@H]([C@@H](O[C@]6(O[C@]([C@@H]([C@H](C6)O)NC(C)=O)([C@@H]([C@H](O[C@]7(O[C@]([C@@H]([C@H](C7)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)CO)O)[H])C(O)=O)[C@H]([C@H](O5)CO)O)O)NC(C)=O)(O[C@]([C@H](NC(=O)C)[C@H](C1)O)([C@@H]([C@H](O[C@]8(O[C@]([C@@H]([C@H](C8)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)CO)O)[H])C(O)=O</smiles> <smiles>[C@@]1(O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCCCC)[C@@H]([C@H]3O)O)CO)CO)O[C@H]4[C@@H]([C@H]([C@@H](O)[C@H](O4)CO)O[C@H]5[C@@H]([C@@H](O[C@]6(O[C@]([C@@H]([C@H](C6)O)NC(C)=O)([C@@H]([C@H](O[C@]7(O[C@]([C@@H]([C@H](C7)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)CO)O)[H])C(O)=O)[C@H]([C@H](O5)CO)O)O)NC(C)=O)(O[C@]([C@H](NC(=O)C)[C@H](C1)O)([C@@H]([C@H](O[C@]8(O[C@]([C@@H]([C@H](C8)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)CO)O)[H])C(O)=O</smiles> is an alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer in which the ceramide N-acyl group is specified as octadecanoyl. It is a conjugate acid of alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(d18:1/18:0)(4-) . It is also related to or classified as alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-D-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer  .


The molecule <smiles>[C@@]1(O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCCCC)[C@@H]([C@H]3O)O)CO)CO)O[C@H]4[C@@H]([C@H]([C@@H](O)[C@H](O4)CO)O[C@H]5[C@@H]([C@@H](O[C@]6(O[C@]([C@@H]([C@H](C6)O)NC(C)=O)([C@@H]([C@H](O[C@]7(O[C@]([C@@H]([C@H](C7)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)[O-])CO)O)[H])C([O-])=O)[C@H]([C@H](O5)CO)O)O)NC(C)=O)(O[C@]([C@H](NC(=O)C)[C@H](C1)O)([C@@H]([C@H](O[C@]8(O[C@]([C@@H]([C@H](C8)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C([O-])=O)CO)O)[H])C([O-])=O</smiles> <smiles>[C@@]1(O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCCCC)[C@@H]([C@H]3O)O)CO)CO)O[C@H]4[C@@H]([C@H]([C@@H](O)[C@H](O4)CO)O[C@H]5[C@@H]([C@@H](O[C@]6(O[C@]([C@@H]([C@H](C6)O)NC(C)=O)([C@@H]([C@H](O[C@]7(O[C@]([C@@H]([C@H](C7)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)[O-])CO)O)[H])C([O-])=O)[C@H]([C@H](O5)CO)O)O)NC(C)=O)(O[C@]([C@H](NC(=O)C)[C@H](C1)O)([C@@H]([C@H](O[C@]8(O[C@]([C@@H]([C@H](C8)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C([O-])=O)CO)O)[H])C([O-])=O</smiles> is an anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of ganglioside GQ1b (d18:1/C18:0); major species at pH 7.3. It is also related to or classified as alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(d18:1)(4-)  . It is also related to or classified as anionic ganglioside .


The molecule <smiles>C(CN(CC1=NC=CC=C1)CC2=NC=CC=C2)N(CC3=NC=CC=C3)CC4=NC=CC=C4</smiles> <smiles>C(CN(CC1=NC=CC=C1)CC2=NC=CC=C2)N(CC3=NC=CC=C3)CC4=NC=CC=C4</smiles> is an N-substituted diamine that is ethylenediamine in which the four amino hydrogens are replaced by 2-pyridylmethyl groups. It has the role of copper chelator . It has the role of chelator . It has the role of apoptosis inducer . Its functional parent is ethylenediamine . It is also related to or classified as pyridines , N-substituted diamine , tertiary amino compound .


The molecule <smiles>N12C=3C=4N(C=5C=CC=CC5C4C6=C(C3C7=C1C=CC=C7)C(NC6)=O)[C@@]8(O[C@]2(C[C@]8(N)C(=O)NC)[H])C</smiles> <smiles>N12C=3C=4N(C=5C=CC=CC5C4C6=C(C3C7=C1C=CC=C7)C(NC6)=O)[C@@]8(O[C@]2(C[C@]8(N)C(=O)NC)[H])C</smiles> is an organic heterooctacyclic compound that is 1H,1'H-2,2'-biindole in which the nitrogens have undergone formal oxidative coupling to positions 2 and 5 of 3-amino-N,2-dimethyloxolane-3-carboxamide (the 2R,3R,5S product), and in which the 3 and 3' positions of the biindole moiety have also undergone formal oxidative coupling to positions 3 and 4 of 1,5-dihydro-2H-pyrrol-2-one. It has the role of antineoplastic agent . It has the role of EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor . It is also related to or classified as monocarboxylic acid amide  .     It is also related to or classified as hemiaminal  . It is also related to or classified as bridged compound , organic heterooctacyclic compound , primary amino compound , indolocarbazole , gamma-lactam .


The molecule <smiles>O([C@@H]1[C@H]([C@H](O[C@@H]2[C@H](O[C@@H](OC[C@@H]([C@H](O)/C=C/CCCCCCCCCCCCC)NC(CCCCCCCCCCCCCCCCC)=O)[C@@H]([C@H]2O)O)CO)O[C@@H]([C@@H]1O)CO)O)[C@]3(O[C@]([C@@H]([C@H](C3)O)NC(C)=O)([C@@H]([C@H](O[C@]4(O[C@]([C@@H]([C@H](C4)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)[O-])CO)O)[H])C([O-])=O</smiles> <smiles>O([C@@H]1[C@H]([C@H](O[C@@H]2[C@H](O[C@@H](OC[C@@H]([C@H](O)/C=C/CCCCCCCCCCCCC)NC(CCCCCCCCCCCCCCCCC)=O)[C@@H]([C@H]2O)O)CO)O[C@@H]([C@@H]1O)CO)O)[C@]3(O[C@]([C@@H]([C@H](C3)O)NC(C)=O)([C@@H]([C@H](O[C@]4(O[C@]([C@@H]([C@H](C4)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)[O-])CO)O)[H])C([O-])=O</smiles> is an anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of ganglioside GD3 (d18:1/C18:0); major species at pH 7.3. It is also related to or classified as ganglioside GD3(2-)  . It is also related to or classified as anionic ganglioside .


The molecule <smiles>C=12NC3(C(C4=NC(=CC=5NC=6C(=C7N=C(C1)[C@H]([C@@H]7CCC(O)=O)C)[C@H](C(C6C5C)=O)C(=O)OC)C(=C4C)CC)O3)C(=C2C)C=C</smiles> <smiles>C=12NC3(C(C4=NC(=CC=5NC=6C(=C7N=C(C1)[C@H]([C@@H]7CCC(O)=O)C)[C@H](C(C6C5C)=O)C(=O)OC)C(=C4C)CC)O3)C(=C2C)C=C</smiles> is A member of the class of pheophorbides obtained by formal epoxidation of pheophorbide a. Its functional parent is pheophorbide a . It is a conjugate acid of epoxypheophorbide a(1-) . It is also related to or classified as epoxide  . It is also related to or classified as pheophorbide  .


The molecule <smiles>[C@@H]1(C[C@H](O)[C@H](O1)CO)N2C=3N=CN=C(C3C=C2)N</smiles> <smiles>[C@@H]1(C[C@H](O)[C@H](O1)CO)N2C=3N=CN=C(C3C=C2)N</smiles> is an N-glycosylpyrrolopyrimidine that is tubercidin in which the hydroxy group at position 2 of the ribose moiety has been replaced by a hydrogen. It is also related to or classified as deoxyribonucleoside , N-glycosylpyrrolopyrimidine .


The molecule <smiles>C1(=CC=C(C(=C1NC=2C(=CC(=CC2)I)F)F)F)C(NOC[C@@H](CO)O)=O</smiles> <smiles>C1(=CC=C(C(=C1NC=2C(=CC(=CC2)I)F)F)F)C(NOC[C@@H](CO)O)=O</smiles> is A hydroxamic acid ester that is benzhydroxamic acid (N-hydroxybenzamide) in which the hydroxamic acid group has been converted to the corresponding 2,3-dihydroxypropyl ester and in which the benzene ring has been substituted at position 2 by a (2-fluoro-4-iodophenyl)amino group and at positions 3 and 4 by fluorines (the R enantiomer). It has the role of antineoplastic agent . It has the role of EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor .  It is also related to or classified as organoiodine compound  . It is also related to or classified as difluorobenzene  .  It is also related to or classified as hydroxamic acid ester  . It is also related to or classified as monofluorobenzenes  . It is also related to or classified as propane-1,2-diols , secondary amino compound .


The molecule <smiles>O1[C@H](OP(OP(=O)(OC[C@H]2O[C@@H](N3C=CC(NC3=O)=O)[C@@H]([C@@H]2O)O)O)(=O)O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]1C(O)=O</smiles> <smiles>O1[C@H](OP(OP(=O)(OC[C@H]2O[C@@H](N3C=CC(NC3=O)=O)[C@@H]([C@@H]2O)O)O)(=O)O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]1C(O)=O</smiles> is A UDP-L-iduronate in which the anomeric centre of the sugar component has beta-configuration. It is also related to or classified as UDP-L-iduronic acid  .


The molecule <smiles>C(CNC(CC[C@@H](C(=O)O)N)=O)C1=CC=C(C=C1)OCC2=COC(=C2)CN</smiles> <smiles>C(CNC(CC[C@@H](C(=O)O)N)=O)C1=CC=C(C=C1)OCC2=COC(=C2)CN</smiles> is A L-glutamine derivative obtained by formal condensation of the side-chain carboxy group of L-glutamine with one of the amino groups of 2-(4-{[5-(aminomethyl)furan-3-yl]methoxy}phenyl)ethan-1-amine. It has the role of bacterial metabolite . It is also related to or classified as furans , L-glutamine derivative , aromatic ether , primary amino compound .


The molecule <smiles>O([C@@H]1[C@H]([C@H](O[C@@H]2[C@H](O[C@@H](OC[C@@H]([C@H](O)/C=C/CCCCCCCCCCCCC)NC(CCCCCCCCCCCCCCCCC)=O)[C@@H]([C@H]2O)O)CO)O[C@@H]([C@@H]1O)CO)O)[C@]3(O[C@]([C@@H]([C@H](C3)O)NC(C)=O)([C@@H]([C@H](O[C@]4(O[C@]([C@@H]([C@H](C4)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)CO)O)[H])C(O)=O</smiles> <smiles>O([C@@H]1[C@H]([C@H](O[C@@H]2[C@H](O[C@@H](OC[C@@H]([C@H](O)/C=C/CCCCCCCCCCCCC)NC(CCCCCCCCCCCCCCCCC)=O)[C@@H]([C@H]2O)O)CO)O[C@@H]([C@@H]1O)CO)O)[C@]3(O[C@]([C@@H]([C@H](C3)O)NC(C)=O)([C@@H]([C@H](O[C@]4(O[C@]([C@@H]([C@H](C4)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)CO)O)[H])C(O)=O</smiles> is an alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer in which the ceramide N-acyl group is specified as octadecanoyl. It is a conjugate acid of alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(d18:1/18:0)(2-) . It is also related to or classified as alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide  .


The molecule <smiles>CCC1=C(C)C2=N\C1=C/C1=C(C)C3=C(N1)\C([C-](C(=O)OC)C3=O)=C1/[NH+]=C(/C=C3\NC4(OC24)C(C=C)=C3C)[C@@H](C)[C@@H]1CCC([O-])=O</smiles> <smiles>CCC1=C(C)C2=N\C1=C/C1=C(C)C3=C(N1)\C([C-](C(=O)OC)C3=O)=C1/[NH+]=C(/C=C3\NC4(OC24)C(C=C)=C3C)[C@@H](C)[C@@H]1CCC([O-])=O</smiles> is A cyclic tetrapyrrole anion that is the conjuagte base of epoxypheophorbide a. Major microspecies at pH 7.3 (according to Marvin v. 6.2.0). It is a conjugate acid of epoxypheophorbide a(2-) . It is also related to or classified as cyclic tetrapyrrole anion .


The molecule <smiles>S(=O)(=O)(NC1=NSN=C1OC)C2=CC=C(N)C=C2</smiles> <smiles>S(=O)(=O)(NC1=NSN=C1OC)C2=CC=C(N)C=C2</smiles> is A sulfonamide obtained by formal condensation of the sulfo group of 4-aminobenzenesulfonic acid with the amino group of 4-methoxy-1,2,5-thiadiazol-3-amine. It is also related to or classified as aromatic ether , thiadiazoles , substituted aniline , sulfonamide antibiotic .


The molecule <smiles>N1(C(CN(C1=O)/N=C/C=2OC(=CC2)[N+]([O-])=O)=O)CO</smiles> <smiles>N1(C(CN(C1=O)/N=C/C=2OC(=CC2)[N+]([O-])=O)=O)CO</smiles> is an imidazolidine-2,4-dione that is hydantoin substituted at position 1 by a [(5-nitro-2-furyl)methylene]amino group and at position 3 by a hydroxymethyl group. It has the role of antiinfective agent . It has the role of antibacterial drug . It has the role of hepatotoxic agent . Its functional parent is semicarbazide .  It is also related to or classified as hydrazone  . It is also related to or classified as imidazolidine-2,4-dione , nitrofuran antibiotic , organonitrogen heterocyclic antibiotic .


The molecule <smiles>S(=O)(=O)(NC=1ON=C(C1C)C)C2=CC=C(N)C=C2.OCCNCCO</smiles> <smiles>S(=O)(=O)(NC=1ON=C(C1C)C)C2=CC=C(N)C=C2.OCCNCCO</smiles> is an organoammonium salt obtained by combining equimolar amounts of sulfisoxazole and diethanolamine. It has antibiotic activity against a wide range of gram-negative and gram-positive organisms. It has the role of antibacterial drug . It is also related to or classified as organoammonium salt .


The molecule <smiles>S1C(NC(C1)C(=O)O)CCSCC(OCC)=O</smiles> <smiles>S1C(NC(C1)C(=O)O)CCSCC(OCC)=O</smiles> is A  dicarboxylic acid monoester that is the monoethyl ester of 2-{2-[(carboxymethyl)sulfanyl]ethyl}-1,3-thiazolidine-4-carboxylic acid. A mucolytic used in the treatment of chronic bronchopneumopathies and related conditions. It has the role of mucolytic . It is also related to or classified as aliphatic sulfide , dicarboxylic acid monoester , thiazolidinemonocarboxylic acid .


The molecule <smiles>N=1N(C(NC(C1)=O)=O)[C@@H]2O[C@@H]([C@H]([C@H]2OC(=O)C)OC(C)=O)COC(C)=O</smiles> <smiles>N=1N(C(NC(C1)=O)=O)[C@@H]2O[C@@H]([C@H]([C@H]2OC(=O)C)OC(C)=O)COC(C)=O</smiles> is A N-glycosyl-1,2,4-triazine that is 6-azauridine acetylated at positions 2', 3' and 5' on the sugar ring. It is a prodrug for 6-azauridine and is used for treatment of psoriasis. It has the role of prodrug . It has the role of antipsoriatic . Its functional parent is 6-azauridine . It is also related to or classified as acetate ester  . It is also related to or classified as N-glycosyl-1,2,4-triazine .


The molecule <smiles>S1S[C@@]23N(C(=O)[C@]14N(C2=O)[C@]5(C(C4)=COC=C[C@@H]5OC(=O)C)[H])[C@]6(C(C3)=COC=C[C@@H]6O)[H]</smiles> <smiles>S1S[C@@]23N(C(=O)[C@]14N(C2=O)[C@]5(C(C4)=COC=C[C@@H]5OC(=O)C)[H])[C@]6(C(C3)=COC=C[C@@H]6O)[H]</smiles> is an organic heterohexacyclic compound with antiviral and antibiotic properties that is isolated from Amauroascus aureus. It has the role of antiviral agent . It has the role of fungal metabolite .   It is also related to or classified as organic disulfide  . It is also related to or classified as secondary alcohol  .   It is also related to or classified as acetate ester  .  It is also related to or classified as delta-lactam  . It is also related to or classified as organonitrogen heterocyclic antibiotic , organooxygen heterocyclic antibiotic , oxacycle , organosulfur heterocyclic compound , organic heterohexacyclic compound .


The molecule <smiles>[Na+].[Na+].[Na+].C12=CC=C(C=C1C=C(C(=C2O)N=NC=3C=CC(=CC3S([O-])(=O)=O)N=NC=4C=CC(=CC4)S([O-])(=O)=O)S([O-])(=O)=O)NC(NC=5C=C6C(=CC5)C(=C(N=NC=7C=CC(=CC7S([O-])(=O)=O)N=NC=8C=CC(=CC8)S([O-])(=O)=O)C(=C6)S([O-])(=O)=O)O)=O.[Na+].[Na+].[Na+]</smiles> <smiles>[Na+].[Na+].[Na+].C12=CC=C(C=C1C=C(C(=C2O)N=NC=3C=CC(=CC3S([O-])(=O)=O)N=NC=4C=CC(=CC4)S([O-])(=O)=O)S([O-])(=O)=O)NC(NC=5C=C6C(=CC5)C(=C(N=NC=7C=CC(=CC7S([O-])(=O)=O)N=NC=8C=CC(=CC8)S([O-])(=O)=O)C(=C6)S([O-])(=O)=O)O)=O.[Na+].[Na+].[Na+]</smiles> is an organic sodium salt resulting from the formal condensation of Sirius red F3B (acid form) with six equivalents of sodium hydroxide. A polyazo dye used principally in staining methods for collagen and amyloid. 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>O1[C@]([C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](N)[C@H]2O)CO)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)([C@@H](N)[C@H](O)[C@@H](O)[C@@H]1N3C(=O)N=C(N)C=C3)[H]</smiles> <smiles>O1[C@]([C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](N)[C@H]2O)CO)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)([C@@H](N)[C@H](O)[C@@H](O)[C@@H]1N3C(=O)N=C(N)C=C3)[H]</smiles> is A nucleoside antibiotic with anthelminthic properties that is isolated from Streptomyces longissimus. It has the role of nucleoside antibiotic . It has the role of anthelminthic drug . It has the role of bacterial metabolite . Its functional parent is cytosine . It is also related to or classified as N-glycosyl compound  .  It is also related to or classified as glycoside  . It is also related to or classified as carbohydrate-containing antibiotic , pyrimidone .


The molecule <smiles>C12=CC=C(C=C1C=C(C(=C2O)N=NC=3C=CC(=CC3S([O-])(=O)=O)N=NC=4C=CC(=CC4)S([O-])(=O)=O)S([O-])(=O)=O)NC(NC=5C=C6C(=CC5)C(=C(N=NC=7C=CC(=CC7S([O-])(=O)=O)N=NC=8C=CC(=CC8)S([O-])(=O)=O)C(=C6)S([O-])(=O)=O)O)=O</smiles> <smiles>C12=CC=C(C=C1C=C(C(=C2O)N=NC=3C=CC(=CC3S([O-])(=O)=O)N=NC=4C=CC(=CC4)S([O-])(=O)=O)S([O-])(=O)=O)NC(NC=5C=C6C(=CC5)C(=C(N=NC=7C=CC(=CC7S([O-])(=O)=O)N=NC=8C=CC(=CC8)S([O-])(=O)=O)C(=C6)S([O-])(=O)=O)O)=O</smiles> is an organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of Sirius red F3B (acid form). It is also related to or classified as organosulfonate oxoanion  .


The molecule <smiles>C12=CC=C(C=C1C=C(C(=C2O)N=NC=3C=CC(=CC3S(O)(=O)=O)N=NC=4C=CC(=CC4)S(O)(=O)=O)S(O)(=O)=O)NC(NC=5C=C6C(=CC5)C(=C(N=NC=7C=CC(=CC7S(O)(=O)=O)N=NC=8C=CC(=CC8)S(O)(=O)=O)C(=C6)S(O)(=O)=O)O)=O</smiles> <smiles>C12=CC=C(C=C1C=C(C(=C2O)N=NC=3C=CC(=CC3S(O)(=O)=O)N=NC=4C=CC(=CC4)S(O)(=O)=O)S(O)(=O)=O)NC(NC=5C=C6C(=CC5)C(=C(N=NC=7C=CC(=CC7S(O)(=O)=O)N=NC=8C=CC(=CC8)S(O)(=O)=O)C(=C6)S(O)(=O)=O)O)=O</smiles> is A naphthalenesulfonic acid that is the free acid form of the dye Sirius red F3B. The hexasodium salt is a histological dye used principally in staining methods for collagen and amyloid. It has the role of fluorochrome . It has the role of histological dye . It is a conjugate acid of Sirius red F3B(6-) . It is also related to or classified as azobenzenes  . It is also related to or classified as naphthols , naphthalenesulfonic acid , ureas .


The molecule <smiles>C12=CC=C(C=C1C=C(C(=C2O)N=NC=3C=C(C(=CC3OC)N=NC=4C=C(C=C5C4C(=CC(=C5)S([O-])(=O)=O)O)S([O-])(=O)=O)C)S([O-])(=O)=O)NC=6C=CC=CC6.[Na+].[Na+].[Na+]</smiles> <smiles>C12=CC=C(C=C1C=C(C(=C2O)N=NC=3C=C(C(=CC3OC)N=NC=4C=C(C=C5C4C(=CC(=C5)S([O-])(=O)=O)O)S([O-])(=O)=O)C)S([O-])(=O)=O)NC=6C=CC=CC6.[Na+].[Na+].[Na+]</smiles> is an organic sodium salt resulting from the formal condensation of Durazol blue 4R (acid form) with three equivalents of sodium hydroxide. 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>C12=CC=C(C=C1C=C(C(=C2O)N=NC=3C=C(C(=CC3OC)N=NC=4C=C(C=C5C4C(=CC(=C5)S([O-])(=O)=O)O)S([O-])(=O)=O)C)S([O-])(=O)=O)NC=6C=CC=CC6</smiles> <smiles>C12=CC=C(C=C1C=C(C(=C2O)N=NC=3C=C(C(=CC3OC)N=NC=4C=C(C=C5C4C(=CC(=C5)S([O-])(=O)=O)O)S([O-])(=O)=O)C)S([O-])(=O)=O)NC=6C=CC=CC6</smiles> is an organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of Durazol blue 4R (acid form). It is also related to or classified as organosulfonate oxoanion  .


The molecule <smiles>[Cl-].COC(=O)c1ccccc1-c1c2ccc(N)cc2oc2cc(=[NH2+])ccc12</smiles> <smiles>[Cl-].COC(=O)c1ccccc1-c1c2ccc(N)cc2oc2cc(=[NH2+])ccc12</smiles> is rhodamine 123. It has the role of fluorochrome . It is also related to or classified as organic chloride salt , xanthene dye .


The molecule <smiles>C(C=1C=CC([N+](CC)(C)C)=CC1)(C2=CC=C(N(C)C)C=C2)=C3C=CC(=[N+](C)C)C=C3</smiles> <smiles>C(C=1C=CC([N+](CC)(C)C)=CC1)(C2=CC=C(N(C)C)C=C2)=C3C=CC(=[N+](C)C)C=C3</smiles> is an iminium ion that forms the cationic portion of the histological dye 'ethyl green'. It is also related to or classified as quaternary ammonium ion  . It is also related to or classified as iminium ion .


The molecule <smiles>[Cl-].C1=2C=CC(=CC1=[O+]C3=C(N2)C(=CC(=C3O)O)C(=O)N)N(C)C</smiles> <smiles>[Cl-].C1=2C=CC(=CC1=[O+]C3=C(N2)C(=CC(=C3O)O)C(=O)N)N(C)C</smiles> is an organic chloride salt composed of 1-carbamoyl-7-(dimethylamino)-3,4-dihydroxyphenoxazin-5-ium and chloride ions in a 1:1 ratio. A histological dye used in solution with an iron alum mordant as a hematoxylin substitute in the H&E stain. It has the role of fluorochrome . It has the role of histological dye . It is also related to or classified as organic chloride salt .


The molecule <smiles>N1=CNC(=C1C(=O)N)O</smiles> <smiles>N1=CNC(=C1C(=O)N)O</smiles> is A hydroxyimidazole that is 5-hydroxyimidazole in which the hydrogen at position 4 is replaced by an aminocarbonyl group. It has the role of antineoplastic agent . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as hydroxyimidazole .


The molecule <smiles>C1=C(C=CC(=C1)/C(/C2=CC=C(C=C2S(O)(=O)=O)O)=C\3/C=C/C(/C=C3)=[N+](\CC4=CC=CC(=C4)S(O)(=O)=O)/CC)N(CC5=CC=CC(=C5)S(O)(=O)=O)CC</smiles> <smiles>C1=C(C=CC(=C1)/C(/C2=CC=C(C=C2S(O)(=O)=O)O)=C\3/C=C/C(/C=C3)=[N+](\CC4=CC=CC(=C4)S(O)(=O)=O)/CC)N(CC5=CC=CC(=C5)S(O)(=O)=O)CC</smiles> is an iminium ion that is the free acid form of Fast green FCF. It is a conjugate acid of Fast green FCF(2-) . It is also related to or classified as iminium ion .


The molecule <smiles>O1[C@@H]([C@@H](O)[C@H](O)[13C@@H](O)[13C@H]1O)CO</smiles> <smiles>O1[C@@H]([C@@H](O)[C@H](O)[13C@@H](O)[13C@H]1O)CO</smiles> is A D-glucose that is alpha-D-glucose-in which the carbon atoms at positions 1 and 2 have been replaced by the (13)C isotope. It has the role of human metabolite .  It is also related to or classified as D-glucose  . It is also related to or classified as (13)C-modified compound .


The molecule <smiles>C12=CC=C(C=C1C=C(C(=C2O)N=NC=3C=C(C(=CC3OC)N=NC=4C=C(C=C5C4C(=CC(=C5)S(O)(=O)=O)O)S(O)(=O)=O)C)S(O)(=O)=O)NC=6C=CC=CC6</smiles> <smiles>C12=CC=C(C=C1C=C(C(=C2O)N=NC=3C=C(C(=CC3OC)N=NC=4C=C(C=C5C4C(=CC(=C5)S(O)(=O)=O)O)S(O)(=O)=O)C)S(O)(=O)=O)NC=6C=CC=CC6</smiles> is A naphthalenesulfonic acid that is the free acid form of the dye Sirius red F3B (the trisodium salt). It has the role of fluorochrome . It has the role of histological dye . It is a conjugate acid of Durazol blue 4R(3-) . It is also related to or classified as azobenzenes  . It is also related to or classified as naphthols , aromatic ether , aminonaphthalenesulfonic acid , bis(azo) compound , secondary amino compound .


The molecule <smiles>C1=C(C=CC(=C1)C(CCCN2CCN(CC2)C3=CC=CC=N3)=O)F</smiles> <smiles>C1=C(C=CC(=C1)C(CCCN2CCN(CC2)C3=CC=CC=N3)=O)F</smiles> is an N-arylpiperazine that is 2-(piperazin-1-yl)pyridine in which the amino hydrogen is replaced by a 3-(4-fluobenzoyl)propyl group. Used mainly as a tranquiliser for pigs and elephants. It has the role of antipsychotic agent . It has the role of dopaminergic antagonist .     It is also related to or classified as monofluorobenzenes  . It is also related to or classified as aminopyridine , N-alkylpiperazine , N-arylpiperazine , aromatic ketone , tertiary amino compound .


The molecule <smiles>C1=2C(=C3C(C=NC=C3)=C(C)C2C4=C(N1)C=CC(=C4)O)C</smiles> <smiles>C1=2C(=C3C(C=NC=C3)=C(C)C2C4=C(N1)C=CC(=C4)O)C</smiles> is A organic heterotetracyclic compound that is ellipticine in which the hydrogen at position 9 has been replaced by a hydroxy group. It has the role of antineoplastic agent . It is also related to or classified as organonitrogen heterocyclic compound , organic heterotetracyclic compound .


The molecule <smiles>[C@]123C(C[C@@H]([C@@]([C@@]1(C(C[C@]4([C@]2([C@@H](C[C@]5([C@]4(CC[C@@]5([C@@H](CCC(C(C)C)=C)C)[H])[H])C)O)C3)O)=O)[H])(C)C(O)=O)O)=O</smiles> <smiles>[C@]123C(C[C@@H]([C@@]([C@@]1(C(C[C@]4([C@]2([C@@H](C[C@]5([C@]4(CC[C@@]5([C@@H](CCC(C(C)C)=C)C)[H])[H])C)O)C3)O)=O)[H])(C)C(O)=O)O)=O</smiles> is A steroid acid that is 9beta,19-cyclo-5alpha-ergost-24(28)-ene-4alpha-carboxylic acid which is substituted by hydroxy groups at the 3beta, 8alpha, and 11alpha positions, by a methyl group at the 4beta position, and by oxo groups at positions 1 and 6. It is a cholesterol and ergosterol synthesis inhibitor isolated from the fungus Sporormiella minima that specifically targets the enzyme, sterol-4-alpha-carboxylate-3-dehydrogenase, encoded by ERG26 in budding yeast, and NSDHL in humans. It has the role of antifungal agent . It has the role of ergosterol biosynthesis inhibitor . It has the role of fungal metabolite . It has the role of EC 1.1.1.170 [3beta-hydroxysteroid-4alpha-carboxylate 3-dehydrogenase (decarboxylating)] inhibitor .   It is also related to or classified as 3beta-hydroxy steroid  . It is also related to or classified as 8-hydroxy steroid , 11alpha-hydroxy steroid , 6-oxo steroid , steroid acid , cyclopropanes .


The molecule <smiles>C1=2C=CC(=CC1=[O+]C3=C(N2)C(=CC(=C3O)O)C(=O)N)N(C)C</smiles> <smiles>C1=2C=CC(=CC1=[O+]C3=C(N2)C(=CC(=C3O)O)C(=O)N)N(C)C</smiles> is an organic cation that is 3,4-dihydroxyphenoxazin-5-ium carrying additional carbamoyl and dimethylamino groups at positions 1 and 7 respectively. The chloride salt is the histological dye 'Gallamin blue'. It has the role of fluorochrome . It has the role of histological dye . It is also related to or classified as organic cation .


The molecule <smiles>C(C=1C=CC([N+](CC)(C)C)=CC1)(C2=CC=C(N(C)C)C=C2)=C3C=CC(=[N+](C)C)C=C3.[Br-].[Cl-]</smiles> <smiles>C(C=1C=CC([N+](CC)(C)C)=CC1)(C2=CC=C(N(C)C)C=C2)=C3C=CC(=[N+](C)C)C=C3.[Br-].[Cl-]</smiles> is an iminium salt composed of [4-([4-(dimethylamino)phenyl]{4-[ethyl(dimethyl)azaniumyl]phenyl}methylidene)cyclohexa-2,5-dien-1-ylidene](dimethyl)ammonium, bromide and chloride ions in a 1:1:1 ratio. A histological dye used to demonstrate nucleic acids by the Unna-Pappenheim stain, in conjunction with Pyronin Y. It has the role of fluorochrome . It has the role of histological dye . It is also related to or classified as quaternary ammonium salt , iminium salt , organic chloride salt , organic bromide salt .


The molecule <smiles>OC1=CC=C2C3(OC(C4=C3C=CC=C4)=O)C=5C(OC2=C1O)=C(C(=CC5)O)O</smiles> <smiles>OC1=CC=C2C3(OC(C4=C3C=CC=C4)=O)C=5C(OC2=C1O)=C(C(=CC5)O)O</smiles> is A xanthene dye that is fluoran carrying four hydroxy substituents at positions 3', 4', 5' and 6'. It has the role of fluorochrome . It has the role of histological dye . It has the role of G-protein-coupled receptor antagonist . Its functional parent is fluoran .  It is also related to or classified as gamma-lactone  . It is also related to or classified as polyphenol , xanthene dye , oxaspiro compound , organic heteropentacyclic compound , 2-benzofurans .


The molecule <smiles>ClC1=C(C=C(C(=O)N[C@H](CCC(=O)[O-])C(N(CCCCC)CCCCC)=O)C=C1)Cl</smiles> <smiles>ClC1=C(C=C(C(=O)N[C@H](CCC(=O)[O-])C(N(CCCCC)CCCCC)=O)C=C1)Cl</smiles> is A monocarboxylic acid anion that is the conjugate base of (R)-lorglumide, obtained by deprotonation of the carboxy group. It is also related to or classified as monocarboxylic acid anion  .


The molecule <smiles>ClC1=C(C=C(C(=O)N[C@@H](CCC(=O)O)C(N(CCCCC)CCCCC)=O)C=C1)Cl</smiles> <smiles>ClC1=C(C=C(C(=O)N[C@@H](CCC(=O)O)C(N(CCCCC)CCCCC)=O)C=C1)Cl</smiles> is an N(2)-(3,4-dichlorobenzoyl)-N,N-dipentyl-alpha-glutamine that has (S)-configuration (the racemate is lorglumide, a CCK antagonist). It is a conjugate acid of (S)-lorglumide(1-) . It is also related to or classified as N(2)-(3,4-dichlorobenzoyl)-N,N-dipentyl-alpha-glutamine  .


The molecule <smiles>ClC1=C(C=C(C(=O)N[C@H](CCC(=O)O)C(N(CCCCC)CCCCC)=O)C=C1)Cl.[Na+]</smiles> <smiles>ClC1=C(C=C(C(=O)N[C@H](CCC(=O)O)C(N(CCCCC)CCCCC)=O)C=C1)Cl.[Na+]</smiles> is an organic sodium salt obtained by formal condensation of N(2)-(3,4-dichlorobenzoyl)-N,N-dipentyl-D-alpha-glutamine with one equivalent of sodium hydroxide. The racemate is lorglumide sodium, a CCK antagonist. It is also related to or classified as organic sodium salt .


The molecule <smiles>ClC1=C(C=C(C(=O)NC(CCC(=O)O)C(N(CCCCC)CCCCC)=O)C=C1)Cl</smiles> <smiles>ClC1=C(C=C(C(=O)NC(CCC(=O)O)C(N(CCCCC)CCCCC)=O)C=C1)Cl</smiles> is A dicarboxylic acid monoamide obtained by formal condensation of the alpha-carboxy group of N-(3,4-dichlorobenzoyl)glutamic acid with the amino group of dipentylamine.  It is also related to or classified as dichlorobenzene  . It is also related to or classified as benzamides , glutamic acid derivative , dicarboxylic acid monoamide .


The molecule <smiles>C1[NH+](CCO[C@@H](C=2C1=CC=CC2)C=3C=CC=CC3)C</smiles> <smiles>C1[NH+](CCO[C@@H](C=2C1=CC=CC2)C=3C=CC=CC3)C</smiles> is an organic cation resulting from the protonation of the tertiary amino group of (S)-nefopam. It is a conjugate acid of (S)-nefopam . It is also related to or classified as organic cation , ammonium ion derivative .


The molecule <smiles>ClC1=C(C=C(C(=O)N[C@@H](CCC(=O)[O-])C(N(CCCCC)CCCCC)=O)C=C1)Cl.[Na+]</smiles> <smiles>ClC1=C(C=C(C(=O)N[C@@H](CCC(=O)[O-])C(N(CCCCC)CCCCC)=O)C=C1)Cl.[Na+]</smiles> is an organic sodium salt obtained by formal condensation of N(2)-(3,4-dichlorobenzoyl)-N,N-dipentyl-L-alpha-glutamine with one equivalent of sodium hydroxide. The racemate is lorglumide sodium, a CCK antagonist. It is also related to or classified as organic sodium salt .


The molecule <smiles>C1[NH+](CCO[C@H](C=2C1=CC=CC2)C=3C=CC=CC3)C</smiles> <smiles>C1[NH+](CCO[C@H](C=2C1=CC=CC2)C=3C=CC=CC3)C</smiles> is an organic cation resulting from the protonation of the tertiary amino group of (R)-nefopam. It is a conjugate acid of (R)-nefopam . It is also related to or classified as organic cation , ammonium ion derivative .


The molecule <smiles>C12=CC=CC=C1C=CC(=C2)C(N)=O</smiles> <smiles>C12=CC=CC=C1C=CC(=C2)C(N)=O</smiles> is A naphthalenecarboxamide resulting from the formal condensation of the carboxy group of 2-naphthoic acid with ammonia. It is also related to or classified as naphthalenecarboxamide .


The molecule <smiles>C1(=NOC(=C1)COC=2C=CC(=CC2Cl)F)C(=O)N3CCC(CC3)C4=CC=NC=C4</smiles> <smiles>C1(=NOC(=C1)COC=2C=CC(=CC2Cl)F)C(=O)N3CCC(CC3)C4=CC=NC=C4</smiles> is an N-acylpiperidine obtained by formal condensation of the carboxy group of 5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid with the secondary amino group of 4-(pyridin-4-yl)piperidine. It has the role of P450 inhibitor .    It is also related to or classified as isoxazoles  .   It is also related to or classified as monofluorobenzenes  . It is also related to or classified as pyridines , aromatic ether , N-acylpiperidine , aromatic amide , monochlorobenzenes .


The molecule <smiles>Cl.C1N(CCO[C@H](C=2C1=CC=CC2)C=3C=CC=CC3)C</smiles> <smiles>Cl.C1N(CCO[C@H](C=2C1=CC=CC2)C=3C=CC=CC3)C</smiles> is A hydrochloride obtained by reaction of (S)-nefopam with one equivalent of hydrochloric acid (the racemic salt is an analgesic drug). It is also related to or classified as hydrochloride .


The molecule <smiles>ClC1=C(C=C(C(=O)N[C@@H](CCC(=O)[O-])C(N(CCCCC)CCCCC)=O)C=C1)Cl</smiles> <smiles>ClC1=C(C=C(C(=O)N[C@@H](CCC(=O)[O-])C(N(CCCCC)CCCCC)=O)C=C1)Cl</smiles> is A monocarboxylic acid anion that is the conjugate base of (S)-lorglumide, obtained by deprotonation of the carboxy group. It is also related to or classified as monocarboxylic acid anion  .


The molecule <smiles>C1N(CCO[C@H](C=2C1=CC=CC2)C=3C=CC=CC3)C</smiles> <smiles>C1N(CCO[C@H](C=2C1=CC=CC2)C=3C=CC=CC3)C</smiles> is A 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine that has (S)-configuration (the racemate is a non-opioid analgesic drug). It is also related to or classified as 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine  .


The molecule <smiles>C1(=NOC(=C1)COC=2C=CC=C(C2)C(F)(F)F)C(=O)N3CCC(CC3)C4=CC=NC=C4</smiles> <smiles>C1(=NOC(=C1)COC=2C=CC=C(C2)C(F)(F)F)C(=O)N3CCC(CC3)C4=CC=NC=C4</smiles> is an N-acylpiperidine obtained by formal condensation of the carboxy group of 5-[(3-trifluoromethylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid with the secondary amino group of 4-(pyridin-4-yl)piperidine. It has the role of P450 inhibitor .   It is also related to or classified as organofluorine compound  .  It is also related to or classified as isoxazoles  . It is also related to or classified as pyridines , aromatic ether , N-acylpiperidine , aromatic amide .


The molecule <smiles>C1N(CCOC(C=2C1=CC=CC2)C=3C=CC=CC3)C</smiles> <smiles>C1N(CCOC(C=2C1=CC=CC2)C=3C=CC=CC3)C</smiles> is A member of the class of benzoxazocines that is 3,4,5,6-tetrahydro-1H-2,5-benzoxazocine substituted by phenyl and methyl groups at positions 1 and 5 respectively. It is also related to or classified as tertiary amino compound , benzoxazocine .


The molecule <smiles>C1(=NOC(=C1)COC=2C(=CC=CC2C)C)C(=O)N3CCC(CC3)C4=CC=NC=C4</smiles> <smiles>C1(=NOC(=C1)COC=2C(=CC=CC2C)C)C(=O)N3CCC(CC3)C4=CC=NC=C4</smiles> is an N-acylpiperidine obtained by formal condensation of the carboxy group of 5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid with the secondary amino group of 4-(pyridin-4-yl)piperidine. It has the role of geroprotector . It has the role of P450 inhibitor .    It is also related to or classified as isoxazoles  . It is also related to or classified as pyridines , aromatic ether , N-acylpiperidine , aromatic amide .


The molecule <smiles>C1(=NOC(=C1)COC=2C(=CC=CC2F)F)C(=O)N3CCC(CC3)C4=CC=NC=C4</smiles> <smiles>C1(=NOC(=C1)COC=2C(=CC=CC2F)F)C(=O)N3CCC(CC3)C4=CC=NC=C4</smiles> is an N-acylpiperidine obtained by formal condensation of the carboxy group of 5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid with the secondary amino group of 4-(pyridin-4-yl)piperidine. It has the role of P450 inhibitor .   It is also related to or classified as difluorobenzene  .  It is also related to or classified as isoxazoles  . It is also related to or classified as pyridines , aromatic ether , N-acylpiperidine , aromatic amide .


The molecule <smiles>Cl.C1N(CCO[C@@H](C=2C1=CC=CC2)C=3C=CC=CC3)C</smiles> <smiles>Cl.C1N(CCO[C@@H](C=2C1=CC=CC2)C=3C=CC=CC3)C</smiles> is A hydrochloride obtained by reaction of (R)-nefopam with one equivalent of hydrochloric acid (the racemic salt is an analgesic drug). It is also related to or classified as hydrochloride .


The molecule <smiles>C1CO[C@]2([C@@]1([C@H](CO2)OC(=O)CO)[H])[H]</smiles> <smiles>C1CO[C@]2([C@@]1([C@H](CO2)OC(=O)CO)[H])[H]</smiles> is A furofuran that is (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-ol in which the hydroxyl hydrogen is replaced by a glycolate group. It is also related to or classified as glycolate ester , furofuran , cyclic acetal .


The molecule <smiles>C(CCC(O)=O)CCC/C=C\C\C=C/C=C/[C@H](CCCCC)O</smiles> <smiles>C(CCC(O)=O)CCC/C=C\C\C=C/C=C/[C@H](CCCCC)O</smiles> is A 15-HETrE consisting of (8Z,11Z,13E)-icosatrienoic acid in which the 15-hydroxy group has S-configuration. It has the role of mouse metabolite . It has the role of human xenobiotic metabolite . It is also related to or classified as 15-HETrE  .


The molecule <smiles>O=C(CCC/C=C\C/C=C\C/C=C\C/C=C\CC(C(CC)O)O)O</smiles> <smiles>O=C(CCC/C=C\C/C=C\C/C=C\C/C=C\CC(C(CC)O)O)O</smiles> is A DiHETE consisting of arachidonic acid having the two hydroxy substituents located at position 17 and 18. It has the role of human xenobiotic metabolite . It has the role of human blood serum metabolite . Its functional parent is arachidonic acid . It is also related to or classified as dihydroxyicosatetraenoic acid .


The molecule <smiles>C=1(C2=C(C(=C3C1C=CC=C3)C=NNC4=NCCN4)C=CC=C2)C=NNC5=NCCN5</smiles> <smiles>C=1(C2=C(C(=C3C1C=CC=C3)C=NNC4=NCCN4)C=CC=C2)C=NNC5=NCCN5</smiles> is A hydrazone resulting from the formal condensation of both of the aldehyde groups of anthracene-9,10-dicarbaldehyde with 2-hydrazinyl-4,5-dihydro-1H-imidazole. It has the role of antineoplastic agent .  It is also related to or classified as hydrazone  . It is also related to or classified as imidazolidines , anthracenes .


The molecule <smiles>C(=O)(/C=C/C1=CC=C(O)C(O)=C1)O[C@@]2(C[C@@H](O)[C@@H]([C@@H](C2)OC(=O)/C=C/C3=CC(=C(O)C=C3)OC)O)C(O)=O</smiles> <smiles>C(=O)(/C=C/C1=CC=C(O)C(O)=C1)O[C@@]2(C[C@@H](O)[C@@H]([C@@H](C2)OC(=O)/C=C/C3=CC(=C(O)C=C3)OC)O)C(O)=O</smiles> is A quinic acid that is (-)-quinic acid acylated at positions 1 and 5 by caffeoyl and feruloyl groups respectively. Its functional parent is trans-caffeic acid . Its functional parent is (-)-quinic acid . Its functional parent is trans-ferulic acid . It is also related to or classified as polyphenol , quinic acid .


The molecule <smiles>P(=O)(OC[C@H](OC(CCCCCNC=1C2=NON=C2C(=CC1)[N+]([O-])=O)=O)COC(CCCCCCC/C=C\CCCCCCCC)=O)(OC[C@@H](C(O)=O)N)O</smiles> <smiles>P(=O)(OC[C@H](OC(CCCCCNC=1C2=NON=C2C(=CC1)[N+]([O-])=O)=O)COC(CCCCCCC/C=C\CCCCCCCC)=O)(OC[C@@H](C(O)=O)N)O</smiles> is A 3-sn-phosphatidyl L-serine in which the phosphatidyl acyl groups at positions 1 and 2 are oleoyl and 6-[(7-nitro-2-1,3-benzoxadiazol-4-yl)amino]hexanoyl respectively. It has the role of fluorescent probe . Its functional parent is oleic acid . It is also related to or classified as 3-sn-phosphatidyl-L-serine  . It is also related to or classified as benzoxadiazole .


The molecule <smiles>C1(=NOC(=C1)COC=2C=C(C=CC2)OC)C(=O)N3CCC(CC3)C4=CC=NC=C4</smiles> <smiles>C1(=NOC(=C1)COC=2C=C(C=CC2)OC)C(=O)N3CCC(CC3)C4=CC=NC=C4</smiles> is an N-acylpiperidine obtained by formal condensation of the carboxy group of 5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid with the secondary amino group of 4-(pyridin-4-yl)piperidine. It has the role of P450 inhibitor .     It is also related to or classified as isoxazoles  . It is also related to or classified as pyridines , aromatic ether , ring assembly , N-acylpiperidine , aromatic amide .


The molecule <smiles>C1(=CC(=CC(=C1C(=O)CCC2=CC(=C(C=C2)O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](CO[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O3)O)O)O</smiles> <smiles>C1(=CC(=CC(=C1C(=O)CCC2=CC(=C(C=C2)O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](CO[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O3)O)O)O</smiles> is an aryl beta-D-glucoside that is 3-hydroxyphloretin in which the hydroxyl hydrogen at position 2' is replaced by a 6-O-beta-D-xylosyl-beta-D-glucosyl group. Its functional parent is phloretin . It is also related to or classified as polyphenol , aryl beta-D-glucoside , disaccharide derivative , dihydrochalcones .


The molecule <smiles>OC(=O)CC=1C=CC=C(C1)C</smiles> <smiles>OC(=O)CC=1C=CC=C(C1)C</smiles> is A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 3-methylphenyl group. It has the role of fungal xenobiotic metabolite . Its functional parent is acetic acid . It is also related to or classified as benzenes , monocarboxylic acid .


The molecule <smiles>[C@@H]1(N2C(NC(=O)C(=C2)Br)=O)O[C@H](COP(OP(OP(O)(=O)O)(=O)O)(=O)O)[C@H]([C@H]1O)O</smiles> <smiles>[C@@H]1(N2C(NC(=O)C(=C2)Br)=O)O[C@H](COP(OP(OP(O)(=O)O)(=O)O)(=O)O)[C@H]([C@H]1O)O</smiles> is A pyrimidine ribonucleoside 5'-triphosphate having 5-bromouracil as the pyrimidine component. Its functional parent is UTP .  It is also related to or classified as organobromine compound  . It is also related to or classified as pyrimidine ribonucleoside 5'-triphosphate .


The molecule <smiles>CCC(C)CC</smiles> <smiles>CCC(C)CC</smiles> is an alkane that is pentane which is substituted by a methyl group at position 3. It is used as a solvent in organic synthesis, as a lubricant and as a raw material for producing carbon black. It has the role of non-polar solvent . It has the role of allelochemical . It has the role of human metabolite .  It is also related to or classified as alkane  . It is also related to or classified as volatile organic compound .


The molecule <smiles>C1=C(C(=CC=C1C([C@H]([C@@H](CC2=CC=C(C(=C2)OC)O)CO)CO)O)O)OC</smiles> <smiles>C1=C(C(=CC=C1C([C@H]([C@@H](CC2=CC=C(C(=C2)OC)O)CO)CO)O)O)OC</smiles> is A polyphenol that is (-)-secoisolariciresinol carrying an additional hydroxy substituent at position 7. Its functional parent is (-)-secoisolariciresinol . It is also related to or classified as lignan  . It is also related to or classified as polyphenol , triol , methoxybenzenes .


The molecule <smiles>C(\CC)=C\C[C@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O)O</smiles> <smiles>C(\CC)=C\C[C@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O)O</smiles> is A 15-HEPE that consists of (5Z,8Z,11Z,13E,17Z)-icosapentaenoic acid in which the 15-hydroxy group has R-configuration. It has the role of anti-inflammatory agent . It has the role of mouse metabolite . It has the role of human xenobiotic metabolite . It is a conjugate acid of 15(R)-HEPE(1-) . It is also related to or classified as 15-HEPE  .


The molecule <smiles>O(C=1C(O)=C(/C(=C\C2=CC(OC)=C(O)C=C2)/C(=O)O)C=C(C1)/C=C/C(=O)O)C</smiles> <smiles>O(C=1C(O)=C(/C(=C\C2=CC(OC)=C(O)C=C2)/C(=O)O)C=C(C1)/C=C/C(=O)O)C</smiles> is A polyphenol composed of two molecules of ferulic acid joined by a bond between positions 8 and 5'. It has the role of plant metabolite . It has the role of Aspergillus metabolite . Its functional parent is trans-ferulic acid . It is also related to or classified as polyphenol , dicarboxylic acid , methoxybenzenes , olefinic compound .


The molecule <smiles>N1([C@@](CCC1)(C(=O)NC2=CN=C(C=C2)F)C)C3=NN4C(C(=N3)NC5=NNC(=C5)C6CC6)=CC=C4</smiles> <smiles>N1([C@@](CCC1)(C(=O)NC2=CN=C(C=C2)F)C)C3=NN4C(C(=N3)NC5=NNC(=C5)C6CC6)=CC=C4</smiles> is A pyrrolotriazine that is pyrrolo[2,1-f][1,2,4]triazine which is substituted at position 2 by the pyrrolidine nitrogen of (2S)-N-(6-fluoropyridin-3-yl)-2-methylprolinamide, and at position 4 by a (5-cyclopropyl-1H-pyrazol-3-yl)amino group. It is a potent, reversible inhibitor of the insulin-like growth factor 1 receptor/insulin receptor family kinases. It has the role of antineoplastic agent . It has the role of EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor . It is also related to or classified as pyrazoles , pyridines , pyrrolidines , pyrrolotriazine .


The molecule <smiles>S(=O)(=O)(OC=1C(=CC(=CC1)CC(O)=O)OC)O</smiles> <smiles>S(=O)(=O)(OC=1C(=CC(=CC1)CC(O)=O)OC)O</smiles> is Homovanillic acid sulfate. It is also related to or classified as alcohol  . It is also related to or classified as phenols  .


The molecule <smiles>C/1(\C[C@H]2O[C@@H](C1)C[C@]3(C([C@H](C[C@@H](C[C@H](CC(O[C@@H]([C@@H](C)O)C[C@@]4(C\C(\[C@@H]([C@](C(C=C2)(C)C)(O4)O)OC(/C=C/C=C/CCC)=O)=C/C(OC)=O)[H])=O)O)O3)OC(C)=O)(C)C)O)=C\C(OC)=O</smiles> <smiles>C/1(\C[C@H]2O[C@@H](C1)C[C@]3(C([C@H](C[C@@H](C[C@H](CC(O[C@@H]([C@@H](C)O)C[C@@]4(C\C(\[C@@H]([C@](C(C=C2)(C)C)(O4)O)OC(/C=C/C=C/CCC)=O)=C/C(OC)=O)[H])=O)O)O3)OC(C)=O)(C)C)O)=C\C(OC)=O</smiles> is A member of the class of bryostatins that is (17E)-2-oxooxacyclohexacos-17-ene which is substituted by hydroxy groups at positions 4, 10, and 20; an acetoxy group at position 8; methyl groups at positions 9, 9, 18, and 19; 2-methoxy-2-oxoethylidene groups at positions 14 and 24; an (E,E)-octa-2,4-dienoyloxy group at position 21; and with oxygen bridges linking positions 6 to 10, 12 to 16, and 20 to 24. It is one of the most abundant member of the class of bryostatins. It has the role of antineoplastic agent . It has the role of protein kinase C agonist . It has the role of anti-HIV-1 agent . It has the role of marine metabolite . It has the role of alpha-secretase activator . It is also related to or classified as methyl ester  .  It is also related to or classified as secondary alcohol  .  It is also related to or classified as acetate ester  . It is also related to or classified as enoate ester  . It is also related to or classified as bryostatins , organic heterotetracyclic compound , cyclic hemiketal .


The molecule <smiles>CCOC(=O)C(C)CC</smiles> <smiles>CCOC(=O)C(C)CC</smiles> is A fatty acid ethyl ester obtained by the formal condensation of  2-methylbutyric acid with ethanol. It is a constituent of the aroma of wines, strawberries, blueberries, and apples. It has the role of flavouring agent . It has the role of fragrance . It has the role of plant metabolite . It has the role of human metabolite . Its functional parent is ethanol . Its functional parent is 2-methylbutyric acid .  It is also related to or classified as fatty acid ethyl ester  . It is also related to or classified as volatile organic compound .


The molecule <smiles>CCCCC(C)O</smiles> <smiles>CCCCC(C)O</smiles> is A hexanol in which the hydroxy group is at position 2. It has the role of semiochemical . It has the role of plant metabolite . It has the role of human metabolite .  It is also related to or classified as secondary alcohol  . It is also related to or classified as hexanol .


The molecule <smiles>C=C(C)C(C)=O</smiles> <smiles>C=C(C)C(C)=O</smiles> is 3-Methyl-3-buten-2-one. Its functional parent is acrylic acid . It is also related to or classified as olefinic compound .


The molecule <smiles>C(CCC/C=C\C/C=C\C/C=C\CC(C(C/C=C\CC)O)O)(=O)O</smiles> <smiles>C(CCC/C=C\C/C=C\C/C=C\CC(C(C/C=C\CC)O)O)(=O)O</smiles> is 14,15-DiHETE. It is also related to or classified as hydroxy fatty acid , polyunsaturated fatty acid .


The molecule <smiles>C=1C=CC(=C(C1)C(=O)OCCCC)C(=O)O</smiles> <smiles>C=1C=CC(=C(C1)C(=O)OCCCC)C(=O)O</smiles> is Monobutylphthalate. Its functional parent is butan-1-ol . It is also related to or classified as phthalic acid monoester .


The molecule <smiles>CC/C=C\CC(C(C/C=C\CCCCCCCC(O)=O)O)O</smiles> <smiles>CC/C=C\CC(C(C/C=C\CCCCCCCC(O)=O)O)O</smiles> is 12,13-DiHODE. It is also related to or classified as hydroxy fatty acid , polyunsaturated fatty acid , dihydroxy monocarboxylic acid , octadecanoid .


The molecule <smiles>C(CCC)CC([H])=O</smiles> <smiles>C(CCC)CC([H])=O</smiles> is A saturated fatty aldehyde that is hexane in which one of the terminal methyl group has been mono-oxygenated to form the corresponding aldehyde. It has the role of human urinary metabolite . It is also related to or classified as n-alkanal  . It is also related to or classified as saturated fatty aldehyde  . It is also related to or classified as medium-chain fatty aldehyde  .


The molecule <smiles>CCCCOC(=O)[H]</smiles> <smiles>CCCCOC(=O)[H]</smiles> is A formate ester resulting from the formal condensation of formic acid with the hydroxy group of butan-1-ol. Found in apples, strawberries, sherry and Pamesan cheese, it has a fruity, plum-like odour and taste. It has the role of flavouring agent . It has the role of fragrance . It has the role of polar aprotic solvent . Its functional parent is butan-1-ol . It is also related to or classified as formate ester .


The molecule <smiles>CCC(CO)=O</smiles> <smiles>CCC(CO)=O</smiles> is A primary alpha-hydroxy ketone that is butane-1,2-diol in which the hydroxy group at position 2 has been formally oxidised to give the corresponding ketone. Its functional parent is butan-2-one . Its functional parent is butane-1,2-diol . It is also related to or classified as primary alpha-hydroxy ketone  .


The molecule <smiles>OC=1C=C2[C@@H](N(CCC2=CC1O)C)C</smiles> <smiles>OC=1C=C2[C@@H](N(CCC2=CC1O)C)C</smiles> is (S)-N-Methylsalsolinol. Its functional parent is (S)-salsolinol . It is also related to or classified as isoquinolines .


The molecule <smiles>C=CC(C)(CCC=C(C)C)OC(C1=CC=CC=C1N)=O</smiles> <smiles>C=CC(C)(CCC=C(C)C)OC(C1=CC=CC=C1N)=O</smiles> is Linalyl anthranilate. It is also related to or classified as arene  . It is also related to or classified as terpene  .


The molecule <smiles>C1C=CC(=C(C1(C)C)CCC(C)=O)C</smiles> <smiles>C1C=CC(=C(C1(C)C)CCC(C)=O)C</smiles> is A member of the class of cyclohexadienes that is cyclohexa-1,3-diene substituted by a 3-oxobutyl group at position 1 and by methyl groups at positions 2 and 6. It has the role of flavouring agent . It has the role of human urinary metabolite . It is also related to or classified as cyclohexadiene  . It is also related to or classified as methyl ketone .


The molecule <smiles>COc1c2C[C@@H](Oc2[n+](C)c2ccc(O)cc12)C(C)(C)O</smiles> <smiles>COc1c2C[C@@H](Oc2[n+](C)c2ccc(O)cc12)C(C)(C)O</smiles> is Ribalinium. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound , oxacycle .


The molecule <smiles>CC1CCCC1</smiles> <smiles>CC1CCCC1</smiles> is A cycloalkane that is cyclopentane substituted by a single methyl group. It has the role of plant metabolite . It has the role of human metabolite .  It is also related to or classified as cycloalkane  . It is also related to or classified as volatile organic compound .


The molecule <smiles>C(C(O)CC=1C=C(C(=CC1)O)OC)(=O)O</smiles> <smiles>C(C(O)CC=1C=C(C(=CC1)O)OC)(=O)O</smiles> is Vanillactic acid. Its functional parent is pyruvic acid . It is also related to or classified as 2-oxo monocarboxylic acid  .


The molecule <smiles>CC(=O)OC(C1=CC=CC=C1)C(Cl)(Cl)Cl</smiles> <smiles>CC(=O)OC(C1=CC=CC=C1)C(Cl)(Cl)Cl</smiles> is alpha-Trichloromethylbenzyl acetate. Its functional parent is benzyl alcohol . It is also related to or classified as carboxylic ester  .


The molecule <smiles>CCCCCCCC\C=C\CC</smiles> <smiles>CCCCCCCC\C=C\CC</smiles> is A 3-dodecene in which the double bond adopts a trans-configuration. It has the role of human metabolite . It has the role of human urinary metabolite . It is also related to or classified as 3-dodecene  .


The molecule <smiles>CCCCC(CC)COC(C1=CC=CC=C1O)=O</smiles> <smiles>CCCCC(CC)COC(C1=CC=CC=C1O)=O</smiles> is Ethylhexyl salicylate. Its functional parent is salicylic acid . It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .


The molecule <smiles>CCCC(CC)O</smiles> <smiles>CCCC(CC)O</smiles> is A hexanol in which the hydroxy group is at position 3. It has the role of pheromone . It has the role of flavouring 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 hexanol .


The molecule <smiles>CCC1=CC=C(C)O1</smiles> <smiles>CCC1=CC=C(C)O1</smiles> is A member of the class of furans that is furan in which the hydrogens at positions 2 and 5 are replaced by ethyl and methyl groups, respectively. It has the role of flavouring agent . It has the role of mouse metabolite . It has the role of plant metabolite . It has the role of fungal metabolite . It has the role of human urinary metabolite . It is also related to or classified as furans .


The molecule <smiles>CC(C)CC1CCCC=C1</smiles> <smiles>CC(C)CC1CCCC=C1</smiles> is A member of the class of cycloalkenes that is cyclohexene substituted by a 2-methylpropyl group at position 3. It has the role of human metabolite . It is also related to or classified as cycloalkene  .


The molecule <smiles>C(C[N+](C)(C)C)OP(=O)([O-])OC[C@H](O)COC(CCCCCCCCC/C=C\CCCCCCCC)=O</smiles> <smiles>C(C[N+](C)(C)C)OP(=O)([O-])OC[C@H](O)COC(CCCCCCCCC/C=C\CCCCCCCC)=O</smiles> is A 1-icosenoyl-sn-glycero-3-phosphocholine in which the the double bond of the icosenoyl group is at the 11-12 position and has Z configuration. It is also related to or classified as 1-icosenoyl-sn-glycero-3-phosphocholine  .


The molecule <smiles>C=1(C=C(C=C(C1)O)CC(CCC(O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O)O)=O)O)O</smiles> <smiles>C=1(C=C(C=C(C1)O)CC(CCC(O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O)O)=O)O)O</smiles> is 4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid-O-glucuronide. It is also related to or classified as O-acyl carbohydrate , fatty acid derivative .


The molecule <smiles>CCCCCCCC\C=C/CC</smiles> <smiles>CCCCCCCC\C=C/CC</smiles> is A 3-dodecene in which the double bond adopts a cis-configuration. It has the role of volatile oil component . It has the role of flavouring agent . It has the role of mammalian metabolite . It has the role of plant metabolite . It has the role of human metabolite . It is also related to or classified as 3-dodecene  .


The molecule <smiles>C(CCC(O)=O)[C@@H](/C=C/C=C\C/C=C\CCCCCCCC)O</smiles> <smiles>C(CCC(O)=O)[C@@H](/C=C/C=C\C/C=C\CCCCCCCC)O</smiles> is A 5-HETrE consisting of (6E,8Z,11Z)-icosatrienoic acid in which the 5-hydroxy group has S-configuration. It has the role of human xenobiotic metabolite . It is also related to or classified as 5-HETrE  .


The molecule <smiles>C=1C=C(C=CC1)CC(CCC(OC2O[C@H]([C@@H]([C@H]([C@@H]2O)O)O)C(=O)O)=O)O</smiles> <smiles>C=1C=C(C=CC1)CC(CCC(OC2O[C@H]([C@@H]([C@H]([C@@H]2O)O)O)C(=O)O)=O)O</smiles> is 4-Hydroxy-5-(phenyl)-valeric acid-O-glucuronide. It is also related to or classified as O-acyl carbohydrate , fatty acid derivative .


The molecule <smiles>C=1C=C(C=CC1)CC(CCC(OS(=O)(=O)O)=O)O</smiles> <smiles>C=1C=C(C=CC1)CC(CCC(OS(=O)(=O)O)=O)O</smiles> is 4-Hydroxy-5-(phenyl)-valeric acid-O-sulphate. It is also related to or classified as alkyl sulfate , fatty acid derivative .


The molecule <smiles>O[C@@H](C[N+]=1C=C(C(C[C@H](N)C(O)=O)=C(O)C1)CC[C@H](N)C(O)=O)CC[C@H](N)C([O-])=O</smiles> <smiles>O[C@@H](C[N+]=1C=C(C(C[C@H](N)C(O)=O)=C(O)C1)CC[C@H](N)C(O)=O)CC[C@H](N)C([O-])=O</smiles> is Pyridinoline. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .