The molecule <smiles>N1C=C(C2=C1C=CC(=C2Cl)Br)OC(=O)C</smiles> <smiles>N1C=C(C2=C1C=CC(=C2Cl)Br)OC(=O)C</smiles> is an acetate ester obtained by formal condensation of the carboxy group of acetic acid with the hydroxy group of 5-bromo-4-chloroindoxyl. It has the role of chromogenic compound . Its functional parent is indoxyl . It is also related to or classified as acetate ester  . It is also related to or classified as chloroindole , bromoindole .


The molecule <smiles>[C@@H]1([C@@H]([C@@H](O)[C@H]([C@H](O1)CO)O)O)OC=2C=CC=3C=CC=CC3C2</smiles> <smiles>[C@@H]1([C@@H]([C@@H](O)[C@H]([C@H](O1)CO)O)O)OC=2C=CC=3C=CC=CC3C2</smiles> is A beta-D-galactoside having a 2-naphthyl substituent at the anomeric position. It has the role of chromogenic compound . Its functional parent is 2-naphthol . It is also related to or classified as beta-D-galactoside  .


The molecule <smiles>[C@H]1([C@@H]([C@H]([C@H](O)CO1)O)O)OC=2C=CC(=CC2)[N+]([O-])=O</smiles> <smiles>[C@H]1([C@@H]([C@H]([C@H](O)CO1)O)O)OC=2C=CC(=CC2)[N+]([O-])=O</smiles> is A xyloside that is alpha-D-xylopyranose in which the anomeric hydroxy hydrogen is replaced by a 4-nitrophenyl group. It has the role of chromogenic compound . Its functional parent is 4-nitrophenol . It is also related to or classified as xyloside  . It is also related to or classified as C-nitro compound .


The molecule <smiles>C1(=O)C2(C)C(C(=O)C3=CC=CC=C13)(C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O2</smiles> <smiles>C1(=O)C2(C)C(C(=O)C3=CC=CC=C13)(C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O2</smiles> is A member of the class of tetralins obtained by formal epoxidation across the 2,3-double bond of menatetrenone. It has the role of human metabolite . It has the role of rat metabolite . Its functional parent is menaquinone-4 . It is also related to or classified as epoxide  .  It is also related to or classified as diketone  . It is also related to or classified as tetralins , aromatic ketone , olefinic compound .


The molecule <smiles>[Cl-].[Cl-].[NH3+]c1cc(ccc1O)[As]=[As]c1ccc(O)c([NH3+])c1</smiles> <smiles>[Cl-].[Cl-].[NH3+]c1cc(ccc1O)[As]=[As]c1ccc(O)c([NH3+])c1</smiles> is arsphenamine. It has the role of antisyphilitic drug . It is also related to or classified as organoarsenic compound , hydrochloride , diarsenes .


The molecule <smiles>[C@@H]1([C@@H]([C@@H](O)[C@@H]([C@H](O1)C(O)=O)O)O)OC=2C(=CC=3C=C(C=CC3C2)Br)C(=O)NC=4C(=CC=CC4)OC</smiles> <smiles>[C@@H]1([C@@H]([C@@H](O)[C@@H]([C@H](O1)C(O)=O)O)O)OC=2C(=CC=3C=C(C=CC3C2)Br)C(=O)NC=4C(=CC=CC4)OC</smiles> is A beta-D-glucosiduronic acid having a 6-bromo-3-[(2-methoxyphenyl)carbamoyl]naphthalen-2-yl substituent at the anomeric position. It has the role of chromogenic compound .   It is also related to or classified as organobromine compound  . It is also related to or classified as beta-D-glucosiduronic acid , aromatic ether , naphthalenecarboxamide .


The molecule <smiles>[C@@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]%10[C@@H]([C@H]([C@H]([C@H](O%10)CO)O)O[C@H]%11[C@@H]([C@H]([C@@H]([C@H](O%11)CO)O[C@H]%12[C@@H]([C@H]([C@H]([C@H](O%12)CO)O)O[C@H]%13[C@@H]([C@H]([C@@H]([C@H](O%13)CO)O)O)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O[C@H]%14[C@@H]([C@H]([C@@H](O[C@@H]%14CO)O[C@H]%15[C@@H]([C@H]([C@@H](O[C@@H]%15CO)O)NC(C)=O)O)NC(C)=O)O</smiles> <smiles>[C@@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]%10[C@@H]([C@H]([C@H]([C@H](O%10)CO)O)O[C@H]%11[C@@H]([C@H]([C@@H]([C@H](O%11)CO)O[C@H]%12[C@@H]([C@H]([C@H]([C@H](O%12)CO)O)O[C@H]%13[C@@H]([C@H]([C@@H]([C@H](O%13)CO)O)O)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O[C@H]%14[C@@H]([C@H]([C@@H](O[C@@H]%14CO)O[C@H]%15[C@@H]([C@H]([C@@H](O[C@@H]%15CO)O)NC(C)=O)O)NC(C)=O)O</smiles> is A branched amino oligosaccharide that is a pentadecasaccharide derivative consisting of a linear trisaccharide of beta-D-mannose and two N-acetyl-beta-D-glucosamine residues (one of which is at the reducing end) all linked in sequence (1->4), to the mannosyl residue of which are linked (1->3) and (1->6) two N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl linear hexasaccharide units. It is also related to or classified as glucosamine oligosaccharide , amino oligosaccharide .


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(C(CCCC)C)=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(C(CCCC)C)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O</smiles> is A methyl-branched fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate functions of 2-methylhexanoyl-CoA; major species at pH 7.3. It is also related to or classified as methyl-branched fatty acyl-CoA(4-) .


The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@]2(O[C@]([C@@H]([C@H](C2)O)NC(CO)=O)([C@@H]([C@@H](CO)O[C@]3(O[C@]([C@@H]([C@H](C3)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)O)[H])C(=O)O)O)O[C@H]4[C@@H]([C@H](C(O[C@@H]4CO)O)NC(C)=O)O</smiles> <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@]2(O[C@]([C@@H]([C@H](C2)O)NC(CO)=O)([C@@H]([C@@H](CO)O[C@]3(O[C@]([C@@H]([C@H](C3)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)O)[H])C(=O)O)O)O[C@H]4[C@@H]([C@H](C(O[C@@H]4CO)O)NC(C)=O)O</smiles> is A linear amino tetrasaccharide comprising an alpha-N-acetylneuraminyl residue, an alpha-N-glycoloylneuraminyl residue, a beta-D-galactose residue and (at the reducing end) an N-acetyl-D-glucosamine residue, linked sequentially (2->8), (2->3) and (1->4). It is also related to or classified as glucosamine oligosaccharide , amino tetrasaccharide .


The molecule <smiles>[C@@H]1([C@H]([C@@H](O)[C@@H]([C@H](O1)CO)O)O)OC=2C=CC=3C=C(C=CC3C2)Br</smiles> <smiles>[C@@H]1([C@H]([C@@H](O)[C@@H]([C@H](O1)CO)O)O)OC=2C=CC=3C=C(C=CC3C2)Br</smiles> is A beta-D-mannoside having a 6-bromo-2-naphthyl substituent at the anomeric position. It has the role of chromogenic compound . Its functional parent is 6-bromo-2-naphthol .  It is also related to or classified as beta-D-mannoside  . It is also related to or classified as organobromine compound  . It is also related to or classified as naphthalenes .


The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@]2(O[C@]([C@@H]([C@H](C2)O)NC(C)=O)([C@@H]([C@@H](CO)O[C@]3(O[C@]([C@@H]([C@H](C3)O)NC(CO)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)O)[H])C(=O)O)O)O[C@H]4[C@@H]([C@H](C(O[C@@H]4CO)O)NC(C)=O)O</smiles> <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@]2(O[C@]([C@@H]([C@H](C2)O)NC(C)=O)([C@@H]([C@@H](CO)O[C@]3(O[C@]([C@@H]([C@H](C3)O)NC(CO)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)O)[H])C(=O)O)O)O[C@H]4[C@@H]([C@H](C(O[C@@H]4CO)O)NC(C)=O)O</smiles> is A linear amino tetrasaccharide comprising an alpha-N-glycoloylneuraminyl residue, an alpha-N-acetylneuraminyl residue, a beta-D-galactose residue and (at the reducing end) an N-acetyl-D-glucosamine residue, linked sequentially (2->8), (2->3) and (1->4). It is also related to or classified as glucosamine oligosaccharide , amino tetrasaccharide .


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(C(CCCC)C)=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(C(CCCC)C)=O)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O</smiles> is A medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-methylhexanoic acid. It is a conjugate acid of 2-methylhexanoyl-CoA(4-) . It is also related to or classified as methyl-branched fatty acyl-CoA , medium-chain fatty 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(C(=CCCC)C)=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(C(=CCCC)C)=O)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O</smiles> is A 2-enoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-methylhexenoic acid. It has the role of human metabolite . It is a conjugate acid of 2-methylhexenoyl-CoA(4-) . It is also related to or classified as monounsaturated fatty acyl-CoA , 2-enoyl-CoA , methyl-branched fatty acyl-CoA , medium-chain fatty acyl-CoA .


The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@]2(O[C@]([C@@H]([C@H](C2)O)NC(CO)=O)([C@@H]([C@@H](CO)O[C@]3(O[C@]([C@@H]([C@H](C3)O)NC(CO)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)O)[H])C(=O)O)O)O[C@H]4[C@@H]([C@H](C(O[C@@H]4CO)O)NC(C)=O)O</smiles> <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@]2(O[C@]([C@@H]([C@H](C2)O)NC(CO)=O)([C@@H]([C@@H](CO)O[C@]3(O[C@]([C@@H]([C@H](C3)O)NC(CO)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)O)[H])C(=O)O)O)O[C@H]4[C@@H]([C@H](C(O[C@@H]4CO)O)NC(C)=O)O</smiles> is A linear amino tetrasaccharide comprising two alpha-N-glycoloylneuraminyl residues, a beta-D-galactose residue and (at the reducing end) an N-acetyl-D-glucosamine residue, linked sequentially (2->8), (2->3) and (1->4). It is also related to or classified as glucosamine oligosaccharide , amino tetrasaccharide .


The molecule <smiles>[C@H]1(C(O)=O)O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)OC=2C=CC(=CC2)[N+]([O-])=O</smiles> <smiles>[C@H]1(C(O)=O)O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)OC=2C=CC(=CC2)[N+]([O-])=O</smiles> is A beta-D-glucosiduronic acid having a 4-nitrophenyl substituent at the anomeric position. It has the role of chromogenic compound . Its functional parent is 4-nitrophenol . It is also related to or classified as beta-D-glucosiduronic acid , C-nitro compound .


The molecule <smiles>[C@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]%10[C@@H]([C@H]([C@H]([C@H](O%10)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O[C@@H]%11[C@H]([C@H]([C@@H]([C@H](O%11)CO)O)O)O[C@H]%12[C@@H]([C@H]([C@@H]([C@H](O%12)CO)O[C@H]%13[C@@H]([C@H]([C@H]([C@H](O%13)CO)O)O[C@H]%14[C@@H]([C@H]([C@@H]([C@H](O%14)CO)O[C@H]%15[C@@H]([C@H]([C@H]([C@H](O%15)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O[C@H]%16[C@@H]([C@H]([C@@H](O[C@@H]%16CO)O[C@H]%17[C@@H]([C@H](C(O[C@@H]%17CO)O)NC(C)=O)O)NC(C)=O)O</smiles> <smiles>[C@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]%10[C@@H]([C@H]([C@H]([C@H](O%10)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O[C@@H]%11[C@H]([C@H]([C@@H]([C@H](O%11)CO)O)O)O[C@H]%12[C@@H]([C@H]([C@@H]([C@H](O%12)CO)O[C@H]%13[C@@H]([C@H]([C@H]([C@H](O%13)CO)O)O[C@H]%14[C@@H]([C@H]([C@@H]([C@H](O%14)CO)O[C@H]%15[C@@H]([C@H]([C@H]([C@H](O%15)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O[C@H]%16[C@@H]([C@H]([C@@H](O[C@@H]%16CO)O[C@H]%17[C@@H]([C@H](C(O[C@@H]%17CO)O)NC(C)=O)O)NC(C)=O)O</smiles> is A branched amino oligosaccharide that is a heptadecasaccharide derivative comprising a linear trisaccharide of alpha-D-mannose and two N-acetyl-beta-D-glucosamine residues (one of which is at the reducing end) all linked in sequence (1->4), to the mannosyl residue of which are linked a beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->)-[beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-alpha-D-mannosyl branched nonasaccharide unit [linked (1->6)], and a beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl linear pentasaccharide unit [linked (1->3)]. It is also related to or classified as glucosamine oligosaccharide , amino oligosaccharide .


The molecule <smiles>C(C=1C=CC([N+](C)(C)C)=CC1)(C2=CC(=C(N(C)C)C=C2)C)=C3C=CC(=[N+](C)C)C=C3.[Cl-].[Cl-]</smiles> <smiles>C(C=1C=CC([N+](C)(C)C)=CC1)(C2=CC(=C(N(C)C)C=C2)C)=C3C=CC(=[N+](C)C)C=C3.[Cl-].[Cl-]</smiles> is an iminium salt composed of (4-{[4-(dimethylamino)-3-methylphenyl][4-(trimethylazaniumyl)phenyl]methylidene}cyclohexa-2,5-dien-1-ylidene)(dimethyl)ammonium and chloride ions in a 1:2 ratio. A histological dye used for staining chromatin and amyloid. 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 .


The molecule <smiles>C=1(C(=C2C(C3=C(C=C(O)C(C(O)=O)=C3C(=O)O)C(C2=C(O)C1O)=O)=O)O)C=4C(=CC=C(C4)CCNC(=O)C)O</smiles> <smiles>C=1(C(=C2C(C3=C(C=C(O)C(C(O)=O)=C3C(=O)O)C(C2=C(O)C1O)=O)=O)O)C=4C(=CC=C(C4)CCNC(=O)C)O</smiles> is A tetrahydroxyanthraquinone that is that is 3,5,6,8-tetrahydroxy-9,10-anthraquinone substituted by two carboxy groups at positions 1 and 2 as well as a 5-(2-acetamidoethyl)-2-hydroxyphenyl group at position 7. The major component of LAC dye together with laccaic acids B, C and D. It has the role of dye . It has the role of animal metabolite . It has the role of EC 2.1.1.37 [DNA (cytosine-5-)-methyltransferase] inhibitor .  It is also related to or classified as acetamide  . It is also related to or classified as polyphenol , oxo dicarboxylic acid , tetrahydroxyanthraquinone .


The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@]2(O[C@]([C@@H]([C@H](C2)O)NC(C)=O)([C@@H]([C@@H](CO)O[C@]3(O[C@]([C@@H]([C@H](C3)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)O)[H])C(=O)O)O)O[C@H]4[C@@H]([C@H](C(O[C@@H]4CO)O)NC(C)=O)O</smiles> <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@]2(O[C@]([C@@H]([C@H](C2)O)NC(C)=O)([C@@H]([C@@H](CO)O[C@]3(O[C@]([C@@H]([C@H](C3)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)O)[H])C(=O)O)O)O[C@H]4[C@@H]([C@H](C(O[C@@H]4CO)O)NC(C)=O)O</smiles> is A linear amino tetrasaccharide comprising two N-acetyl-alpha-neuraminyl residues, a beta-D-galactose residue and (at the reducing end) an N-acetyl-D-glucosamine residue, linked sequentially (2->8), (2->3) and (1->4). It is also related to or classified as glucosamine oligosaccharide , amino tetrasaccharide .


The molecule <smiles>[C@@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]%10[C@@H]([C@H]([C@@H]([C@H](O%10)CO)O[C@H]%11[C@@H]([C@H]([C@H]([C@H](O%11)CO)O)O[C@H]%12[C@@H]([C@H]([C@@H]([C@H](O%12)CO)O[C@H]%13[C@@H]([C@H]([C@H]([C@H](O%13)CO)O)O[C@H]%14[C@@H]([C@H]([C@@H]([C@H](O%14)CO)O[C@H]%15[C@@H]([C@H]([C@H]([C@H](O%15)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O[C@H]%16[C@@H]([C@H]([C@@H](O[C@@H]%16CO)O[C@H]%17[C@@H]([C@H]([C@@H](O[C@@H]%17CO)O)NC(C)=O)O)NC(C)=O)O</smiles> <smiles>[C@@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]%10[C@@H]([C@H]([C@@H]([C@H](O%10)CO)O[C@H]%11[C@@H]([C@H]([C@H]([C@H](O%11)CO)O)O[C@H]%12[C@@H]([C@H]([C@@H]([C@H](O%12)CO)O[C@H]%13[C@@H]([C@H]([C@H]([C@H](O%13)CO)O)O[C@H]%14[C@@H]([C@H]([C@@H]([C@H](O%14)CO)O[C@H]%15[C@@H]([C@H]([C@H]([C@H](O%15)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O[C@H]%16[C@@H]([C@H]([C@@H](O[C@@H]%16CO)O[C@H]%17[C@@H]([C@H]([C@@H](O[C@@H]%17CO)O)NC(C)=O)O)NC(C)=O)O</smiles> is A branched amino oligosaccharide that is a heptadecasaccharide derivative consisting of a linear trisaccharide of beta-D-mannose and two N-acetyl-beta-D-glucosamine residues (one of which is at the reducing end) all linked in sequence (1->4), to the mannosyl residue of which are linked (1->3) and (1->6) two beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl linear heptasaccharide units. It is also related to or classified as glucosamine oligosaccharide , amino oligosaccharide .


The molecule <smiles>C12=CC=CC=C2C=CC(=C1)OC(=O)CCC</smiles> <smiles>C12=CC=CC=C2C=CC(=C1)OC(=O)CCC</smiles> is A butyrate ester obtained by formal condensation of the carboxy group of butyric acid with the hydroxy group of 2-naphthol. It has the role of chromogenic compound . Its functional parent is 2-naphthol .  It is also related to or classified as butyrate ester  . It is also related to or classified as naphthalenes , aromatic ester .


The molecule <smiles>BrC=1C=C(NC2=NC=NC3=C2C=C(NC(=O)C#CC)C=C3)C=CC1</smiles> <smiles>BrC=1C=C(NC2=NC=NC3=C2C=C(NC(=O)C#CC)C=C3)C=CC1</smiles> is A member of the class of quinazolines that is 4,6-diaminoquinazoine in which the one of the hydrogens attached to the amino group at position 4 has been replaced by a m-bromophenyl group while one of the hydrogens attached to the amino group at position 6 has been replaced by a but-2-ynoyl group. It has the role of antineoplastic agent . It has the role of EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor . It has the role of epidermal growth factor receptor antagonist . It is also related to or classified as secondary carboxamide  .   It is also related to or classified as ynamide  . It is also related to or classified as bromobenzenes , quinazolines .


The molecule <smiles>C(C=1C=CC([N+](C)(C)C)=CC1)(C2=CC(=C(N(C)C)C=C2)C)=C3C=CC(=[N+](C)C)C=C3</smiles> <smiles>C(C=1C=CC([N+](C)(C)C)=CC1)(C2=CC(=C(N(C)C)C=C2)C)=C3C=CC(=[N+](C)C)C=C3</smiles> is an iminium ion that forms the cationic portion of the histological dye 'iodine 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>N1C2=C(C3=C1[C@@H](CCC3)C(=O)N)C=C(C=C2)Cl</smiles> <smiles>N1C2=C(C3=C1[C@@H](CCC3)C(=O)N)C=C(C=C2)Cl</smiles> is A 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide that has R configuration. It is the inactive enantiomer. It is also related to or classified as 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide  .


The molecule <smiles>C1=C(C=CC(=C1)C(NC2=C(C=CC=C2)N)=O)NC(C)=O</smiles> <smiles>C1=C(C=CC(=C1)C(NC2=C(C=CC=C2)N)=O)NC(C)=O</smiles> is A benzamide obtained by formal condensation of the carboxy group of 4-acetamidobenzoic acid with one of the amino groups of 1,2-phenylenediamine. An oral cytostatic drug with impressive differential activity against leukemic cells and normal stem-cells. Also used in combination therapy for selected tumors including non-smoll cell lung, pancreatic, breast, and colorectal cancers. It has the role of antineoplastic agent . It has the role of EC 3.5.1.98 (histone deacetylase) inhibitor . Its functional parent is 1,2-phenylenediamine . It is also related to or classified as acetamides , benzamides , substituted aniline .


The molecule <smiles>C=1(C(=C2C(C3=C(C=C(O)C(C(O)=O)=C3C(=O)O)C(C2=C(O)C1O)=O)=O)O)C=4C(=CC=C(C4)CC(N)C(=O)O)O</smiles> <smiles>C=1(C(=C2C(C3=C(C=C(O)C(C(O)=O)=C3C(=O)O)C(C2=C(O)C1O)=O)=O)O)C=4C(=CC=C(C4)CC(N)C(=O)O)O</smiles> is A tetrahydroxyanthraquinone that is that is 3,5,6,8-tetrahydroxy-9,10-anthraquinone substituted by two carboxy groups at positions 1 and 2 as well as a 5-(2-amino-2-carboxyethyl)-2-hydroxyphenyl group at position 7. A minor component of LAC dye together with laccaic acids A, B and D. It has the role of dye . It has the role of animal metabolite .   It is also related to or classified as alpha-amino acid  . It is also related to or classified as polyphenol , tricarboxylic acid , tetrahydroxyanthraquinone .


The molecule <smiles>C1(=C(C(C(=C(C1=O)N2CC2)NC(=O)OCC)=O)N3CC3)NC(=O)OCC</smiles> <smiles>C1(=C(C(C(=C(C1=O)N2CC2)NC(=O)OCC)=O)N3CC3)NC(=O)OCC</smiles> is A 1,4-benzoquinone that is substituted at positions 2 and 5 have been replaced by aziridin-1-yl groups and at positions 3 and 6 by (ethoxycarbonyl)amino groups. It has the role of alkylating agent . It has the role of antineoplastic agent . It is also related to or classified as 1,4-benzoquinones  .   It is also related to or classified as enamine  . It is also related to or classified as aziridines , carbamate ester .


The molecule <smiles>C=1(C(=C2C(C3=C(C=C(O)C(C(O)=O)=C3C(=O)O)C(C2=C(O)C1O)=O)=O)O)C=4C(=CC=C(C4)CCO)O</smiles> <smiles>C=1(C(=C2C(C3=C(C=C(O)C(C(O)=O)=C3C(=O)O)C(C2=C(O)C1O)=O)=O)O)C=4C(=CC=C(C4)CCO)O</smiles> is A tetrahydroxyanthraquinone that is that is 3,5,6,8-tetrahydroxy-9,10-anthraquinone substituted by two carboxy groups at positions 1 and 2 as well as a 5-(2-hydroxyethyl)-2-hydroxyphenyl group at position 7. A minor component of LAC dye together with laccaic acids A, C and D. It has the role of dye . It has the role of animal metabolite . It is also related to or classified as primary alcohol  . It is also related to or classified as polyphenol , oxo dicarboxylic acid , tetrahydroxyanthraquinone .


The molecule <smiles>C12=CC(=CC(=C1C(=C(C=C2)N)N=NC=3C=CC(=CC3S(O)(=O)=O)NC(=O)C)O)S(O)(=O)=O</smiles> <smiles>C12=CC(=CC(=C1C(=C(C=C2)N)N=NC=3C=CC(=CC3S(O)(=O)=O)NC(=O)C)O)S(O)(=O)=O</smiles> is A naphthalenesulfonic acid that is 6-aminonaphthalene-2-sulfonic acid carrying additional hydroxy and (4-acetamido-2-sulfophenyl)diazenyl substituents at positions 4 and 5 respectively. The disodium salt is the biological stain 'lissamine fast red'. It has the role of fluorochrome . It has the role of histological dye . It is a conjugate acid of lissamine fast red(2-) .  It is also related to or classified as azobenzenes  . It is also related to or classified as acetamides , naphthols , aminonaphthalenesulfonic acid .


The molecule <smiles>N1C2=C(C3=C1[C@H](CCC3)C(=O)N)C=C(C=C2)Cl</smiles> <smiles>N1C2=C(C3=C1[C@H](CCC3)C(=O)N)C=C(C=C2)Cl</smiles> is A 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide that has S configuration It is the active enantiomer. It has the role of Sir1 inhibitor . It is also related to or classified as 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide  .


The molecule <smiles>C12=CC(=CC(=C1C(=C(C=C2)N)N=NC=3C=CC(=CC3S([O-])(=O)=O)NC(=O)C)O)S([O-])(=O)=O.[Na+].[Na+]</smiles> <smiles>C12=CC(=CC(=C1C(=C(C=C2)N)N=NC=3C=CC(=CC3S([O-])(=O)=O)NC(=O)C)O)S([O-])(=O)=O.[Na+].[Na+]</smiles> is an organic sodium salt that is the disodium salt of 5-[(4-acetamido-2-sulfophenyl)diazenyl]-6-amino-4-hydroxynaphthalene-2-sulfonic acid. Used along with acid fuchsin as a constituent of the plasma staining solution in Lendrum's Picro-Mallory for 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>S1C(=C(C2=C1C=C(O)C=C2)C(=O)C3=CC=C(OCCN4CCCC4)C=C3)C5=CC=C(O)C=C5</smiles> <smiles>S1C(=C(C2=C1C=C(O)C=C2)C(=O)C3=CC=C(OCCN4CCCC4)C=C3)C5=CC=C(O)C=C5</smiles> is A member of the class of 1-benzothiophenes that is raloxifene in which the piperidin-1-yl group has been replaced by a pyrrolidin-1-yl group. It has the role of bone density conservation agent . It has the role of estrogen receptor modulator . It has the role of estrogen receptor antagonist . It is also related to or classified as phenols  . It is also related to or classified as 1-benzothiophenes , N-alkylpyrrolidine , aromatic ketone .


The molecule <smiles>N1(C(=O)[C@]2(N(C([C@](NC([C@H](C([C@@](OC(C[C@@H]([C@H](NC([C@H]([C@H](OC([C@@]1(CC=3C=CC(=CC3)OC)[H])=O)C)NC([C@](N(C)C(=O)[C@]4(N(CCC4)C(=O)C(C)=O)[H])(CC(C)C)[H])=O)=O)[C@](CC)(C)[H])O)=O)(C(C)C)[H])=O)C)=O)([H])CC(C)C)=O)CCC2)[H])C</smiles> <smiles>N1(C(=O)[C@]2(N(C([C@](NC([C@H](C([C@@](OC(C[C@@H]([C@H](NC([C@H]([C@H](OC([C@@]1(CC=3C=CC(=CC3)OC)[H])=O)C)NC([C@](N(C)C(=O)[C@]4(N(CCC4)C(=O)C(C)=O)[H])(CC(C)C)[H])=O)=O)[C@](CC)(C)[H])O)=O)(C(C)C)[H])=O)C)=O)([H])CC(C)C)=O)CCC2)[H])C</smiles> is A didemnin that is didemin B in which the hydroxy group of the 1-(2-hydroxypropanoyl)-L-prolinamide moiety has been oxidised to the corresponding ketone. It was originally isolated from the Mediterranean tunicate Aplidium albicans. It has the role of anticoronaviral agent . It has the role of antineoplastic agent . It has the role of marine metabolite . It is also related to or classified as didemnin .


The molecule <smiles>C1=C(C(=CC(=C1N2N=C(C(=C2O)N=NC=3C=CC(=CC3)S(O)(=O)=O)C)Cl)S(O)(=O)=O)Cl</smiles> <smiles>C1=C(C(=CC(=C1N2N=C(C(=C2O)N=NC=3C=CC(=CC3)S(O)(=O)=O)C)Cl)S(O)(=O)=O)Cl</smiles> is an arenesulfonic acid that is 2,5-dichloro-4-(pyrazol-1-yl)benzene-1-sulfonic acid in which the pyrazole ring is substituted by methyl, (4-sulfophenyl)diazenyl and hydroxy groups at positions 3, 4, and 5 respctively. The disodium salt is the biological stain 'lissamine fast yellow'. It has the role of allergen . It has the role of histological dye . It has the role of food colouring . It is a conjugate acid of lissamine fast yellow(2-) . It is also related to or classified as azobenzenes  . It is also related to or classified as dichlorobenzene  . It is also related to or classified as pyrazoles , arenesulfonic acid , heteroaryl hydroxy compound .


The molecule <smiles>C1=C(C(=CC(=C1N2N=C(C(=C2O)N=NC=3C=CC(=CC3)S([O-])(=O)=O)C)Cl)S([O-])(=O)=O)Cl</smiles> <smiles>C1=C(C(=CC(=C1N2N=C(C(=C2O)N=NC=3C=CC(=CC3)S([O-])(=O)=O)C)Cl)S([O-])(=O)=O)Cl</smiles> is an organosulfonate oxoanion resulting from the removal of a proton from both of the sulfo groups of 2,5-dichloro-4-{5-hydroxy-3-methyl-4-[(4-sulfophenyl)diazenyl]pyrazol-1-yl}benzene-1-sulfonic acid. It is also related to or classified as organosulfonate oxoanion  .


The molecule <smiles>C12=CC(=CC(=C1C(=C(C=C2)N)N=NC=3C=CC(=CC3S([O-])(=O)=O)NC(=O)C)O)S([O-])(=O)=O</smiles> <smiles>C12=CC(=CC(=C1C(=C(C=C2)N)N=NC=3C=CC(=CC3S([O-])(=O)=O)NC(=O)C)O)S([O-])(=O)=O</smiles> is an organosulfonate oxoanion resulting from the removal of a proton from both of the sulfo groups of 5-[(4-acetamido-2-sulfophenyl)diazenyl]-6-amino-4-hydroxynaphthalene-2-sulfonic acid. It is also related to or classified as organosulfonate oxoanion  .


The molecule <smiles>C12=[N+]3C(=NC=4N5C(N=C6[N+]7=C(N=C8N(C(=N1)C9=CC=CC=C89)[Cu-2]357)C%10=C(C=CC=C6%10)S([O-])(=O)=O)=C%11C=CC=CC4%11)C%12=C(C=CC=C2%12)S([O-])(=O)=O.N(C(NC=1C=CC=CC1C)=[NH2+])C=2C(=CC=CC2)C.N(C(NC=1C=CC=CC1C)=[NH2+])C=2C(=CC=CC2)C</smiles> <smiles>C12=[N+]3C(=NC=4N5C(N=C6[N+]7=C(N=C8N(C(=N1)C9=CC=CC=C89)[Cu-2]357)C%10=C(C=CC=C6%10)S([O-])(=O)=O)=C%11C=CC=CC4%11)C%12=C(C=CC=C2%12)S([O-])(=O)=O.N(C(NC=1C=CC=CC1C)=[NH2+])C=2C(=CC=CC2)C.N(C(NC=1C=CC=CC1C)=[NH2+])C=2C(=CC=CC2)C</smiles> is A guanidinium salt that is the bis[1,3-di(2-tolyl)guanidinium] salt of a copper phthalocyanine-disulfonic acid. A dye that is soluble in alcohols and phospholipids and is used to demonstrate myelin. It has the role of fluorochrome . It has the role of histological dye . It is also related to or classified as organosulfonate salt , guanidinium salt .


The molecule <smiles>C(=O)(C1=C(C=CC=C1CCCCCCCCCCCCCCC)OCC)NC2=CC=C(C(=C2)C(F)(F)F)Cl</smiles> <smiles>C(=O)(C1=C(C=CC=C1CCCCCCCCCCCCCCC)OCC)NC2=CC=C(C(=C2)C(F)(F)F)Cl</smiles> is A benzamide obtained by formal condensation of the carboxy group of 2-ethoxy-6-pentadecylbenzoic acid with one of the amino groups of 4-chloro-3-(trifluoromethyl)aniline. It has the role of histone acetyltransferase activator .   It is also related to or classified as organofluorine compound  . It is also related to or classified as benzamides , aromatic ether , monochlorobenzenes .


The molecule <smiles>[Na+].[Na+].C1=C(C(=CC(=C1N2N=C(C(=C2O)N=NC=3C=CC(=CC3)S([O-])(=O)=O)C)Cl)S([O-])(=O)=O)Cl</smiles> <smiles>[Na+].[Na+].C1=C(C(=CC(=C1N2N=C(C(=C2O)N=NC=3C=CC(=CC3)S([O-])(=O)=O)C)Cl)S([O-])(=O)=O)Cl</smiles> is an organic sodium salt that is the disodium salt of 2,5-dichloro-4-{5-hydroxy-3-methyl-4-[(4-sulfophenyl)diazenyl]pyrazol-1-yl}benzene-1-sulfonic acid. It is used as the erythrocyte stain in Garvey's method for elastic, fibrin and collagen as well as a substitute for martius yellow in Lendrum's MSB. It has the role of allergen . It has the role of histological dye . It has the role of food colouring . It is also related to or classified as organic sodium salt .


The molecule <smiles>C1(=C(C(C(=C(C1=O)N2CC2)NCCO)=O)N3CC3)NCCO</smiles> <smiles>C1(=C(C(C(=C(C1=O)N2CC2)NCCO)=O)N3CC3)NCCO</smiles> is A member of the class of 1,4-benzoquinones that is 1,4-benzoquinone in which the hydrogens at positions 2 and 5 have been replaced by aziridin-1-yl groups while the hydrogens at positions 3 and 6 have been replaced by (2-hydroxyethyl)amino groups. It has the role of alkylating agent . It has the role of antineoplastic agent . It is also related to or classified as 1,4-benzoquinones  . It is also related to or classified as primary alcohol  .  It is also related to or classified as enamine  . It is also related to or classified as aziridines , secondary amino compound .


The molecule <smiles>ClC1=C(CS(C2=CC=3\C(=C\C=4NC(=C(C(=O)N5[C@@](CN6CCCC6)(CCC5)[H])C4C)C)\C(=O)NC3C=C2)(=O)=O)C(Cl)=CC=C1</smiles> <smiles>ClC1=C(CS(C2=CC=3\C(=C\C=4NC(=C(C(=O)N5[C@@](CN6CCCC6)(CCC5)[H])C4C)C)\C(=O)NC3C=C2)(=O)=O)C(Cl)=CC=C1</smiles> is A member of the class of indolones that is 1,3-dihydro-2H-indol-2-one which is substituted by a (2,6-dichlorobenzyl)sulfonyl group at position 5 and by a (1H-pyrrol-2-yl)methylidene group at position 2, the pyrrole ring of which is substituted by methyl groups at positions 3 and 5, and by a [2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl group at position 4 (the Z,R isomer). It has the role of antineoplastic agent . It has the role of c-Met tyrosine kinase inhibitor . It is also related to or classified as secondary carboxamide  . It is also related to or classified as tertiary carboxamide  . It is also related to or classified as dichlorobenzene  .  It is also related to or classified as sulfone  .   It is also related to or classified as enamide  . It is also related to or classified as indolones , N-acylpyrrolidine , pyrrolecarboxamide .


The molecule <smiles>C1=C(C(C=C2C1=C(C3=C(O2)C(=C(C(=C3)Br)O)[Hg]O)C4=CC=CC=C4C(O)=O)=O)Br</smiles> <smiles>C1=C(C(C=C2C1=C(C3=C(O2)C(=C(C(=C3)Br)O)[Hg]O)C4=CC=CC=C4C(O)=O)=O)Br</smiles> is A xanthene dye that is fluorescein bearing bromine substituents at positions 2 and 7 as well as a hydroxymercurio substituent at position 4. It has the role of antiseptic drug . It has the role of fluorochrome . It has the role of histological dye . Its functional parent is fluorescein (lactone form) . It is a conjugate acid of 2,7-dibromo-4-hydroxymercurifluorescein(2-) .   It is also related to or classified as organobromine compound  . It is also related to or classified as arylmercury compound , benzoic acids , xanthene dye .


The molecule <smiles>[C@]12(CCC3=C([C@]1([C@H](C[C@@]4(C)[C@@]2([H])CC[C@@H]4O)C5=CC=C(C=C5)OCCCCCS(CCCC(C(F)(F)F)(F)F)(=O)=O)[H])C=CC(=C3)O)[H]</smiles> <smiles>[C@]12(CCC3=C([C@]1([C@H](C[C@@]4(C)[C@@]2([H])CC[C@@H]4O)C5=CC=C(C=C5)OCCCCCS(CCCC(C(F)(F)F)(F)F)(=O)=O)[H])C=CC(=C3)O)[H]</smiles> is A 17beta-hydroxy steroid that is 17beta-estradiol in the the hydrogen at the 11beta position has been replaced by a p-({5-[(4,4,5,5,5-pentafluoropentyl)sulfonyl]pentyl}oxy)phenyl group. RU 58668 is a pure anti-estrogen that downregulates estrogen receptor expression (IC50 = 0.04 nM). It has the role of antineoplastic agent . It has the role of anti-estrogen . It has the role of estrogen receptor antagonist . It is also related to or classified as 17beta-hydroxy steroid  .  It is also related to or classified as sulfone  .  It is also related to or classified as organofluorine compound  . It is also related to or classified as aromatic ether , 3-hydroxy steroid .


The molecule <smiles>S1C2=C(N3C1=NC(=C3)C4=CC=C(NC(=O)NC5=NOC(C(C)(C)C)=C5)C=C4)C=CC(OCCN6CCOCC6)=C2</smiles> <smiles>S1C2=C(N3C1=NC(=C3)C4=CC=C(NC(=O)NC5=NOC(C(C)(C)C)=C5)C=C4)C=CC(OCCN6CCOCC6)=C2</smiles> is A member of the class of phenylureas that is urea in which one of the amino groups has been substituted by a 5-tert-butyl-1,2-oxazol-3-yl group while the other has been substituted by a phenyl group substituted at the para- position by an imidazo[2,1-b][1,3]benzothiazol-2-yl group that, in turn, is substituted at position 7 by a 2-(morpholin-4-yl)ethoxy group. It has the role of necroptosis inhibitor . 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 isoxazoles  . It is also related to or classified as phenylureas , morpholines , benzoimidazothiazole .


The molecule <smiles>C12=[N+]3C(=NC=4N5C(N=C6[N+]7=C(N=C8N(C(=N1)C9=CC=CC=C89)[Cu-2]357)C%10=C(C=CC=C6%10)S([O-])(=O)=O)=C%11C=CC=CC4%11)C%12=C(C=CC=C2%12)S([O-])(=O)=O</smiles> <smiles>C12=[N+]3C(=NC=4N5C(N=C6[N+]7=C(N=C8N(C(=N1)C9=CC=CC=C89)[Cu-2]357)C%10=C(C=CC=C6%10)S([O-])(=O)=O)=C%11C=CC=CC4%11)C%12=C(C=CC=C2%12)S([O-])(=O)=O</smiles> is an organosulfonate oxoanion resulting from the removal of a proton from both of the sulfo groups of a copper phthalocyanine-disulfonic acid. It is also related to or classified as organosulfonate oxoanion  .


The molecule <smiles>C(\[C@H]1[C@@H](CC([C@@H]1C/C=C\CCCC(=O)OCC(CO)O)=O)O)=C/[C@H](CCCCC)O</smiles> <smiles>C(\[C@H]1[C@@H](CC([C@@H]1C/C=C\CCCC(=O)OCC(CO)O)=O)O)=C/[C@H](CCCCC)O</smiles> is A 1-monoglyceride resulting from the condensation of the carboxy group of prostaglandin E2 with the 1-hydroxy group of glycerol. It has the role of human metabolite . Its functional parent is prostaglandin E2 . It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as prostaglandins E  .  It is also related to or classified as 1-monoglyceride  . It is also related to or classified as tetrol , alicyclic ketone .


The molecule <smiles>C12=C(N=CN1C3OCCC3)C(=NC=N2)N</smiles> <smiles>C12=C(N=CN1C3OCCC3)C(=NC=N2)N</smiles> is A nucleoside analogue that is adenine in which the nitrogen at position 9 has been substituted by a tetrahydrofuran-2-yl group. It is an adenylate cyclase inhibitor. It has the role of EC 4.6.1.1 (adenylate cyclase) inhibitor . Its functional parent is adenine . It is also related to or classified as oxolanes , nucleoside analogue .


The molecule <smiles>C1SSCCC=C[C@@H]2CC(N[C@@](C(N[C@H]1C(N[C@@]([C@H](CC(O2)=O)O)([C@H](CC)C)[H])=O)=O)(C)[H])=O</smiles> <smiles>C1SSCCC=C[C@@H]2CC(N[C@@](C(N[C@H]1C(N[C@@]([C@H](CC(O2)=O)O)([C@H](CC)C)[H])=O)=O)(C)[H])=O</smiles> is A spiruchostatin with molecular formula C21H33N3O6S2 originally isolated from a Pseudomonas culture broth. It has the role of antineoplastic agent . It has the role of EC 3.5.1.98 (histone deacetylase) inhibitor . It has the role of bacterial metabolite . It is also related to or classified as organic disulfide  . It is also related to or classified as macrocyclic lactone , spiruchostatin , organic heterobicyclic compound .


The molecule <smiles>O(CCCN1CCCCC1)C=2C=C3N=CN=C(N4CCN(CC4)C(=O)NC5=CC=C(OC(C)C)C=C5)C3=CC2OC</smiles> <smiles>O(CCCN1CCCCC1)C=2C=C3N=CN=C(N4CCN(CC4)C(=O)NC5=CC=C(OC(C)C)C=C5)C3=CC2OC</smiles> is an N-arylpiperazine that is piperazine in which the hydrogen attached to the nitrogen at position 1 is replaced by a 6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-yl group, while the hydrogen attached to the nitrogen at position 4 is replaced by a (p-isopropoxyphenyl)aminocarbonyl group. Tandutinib is an inhibitor of tyrosine kinases FLT3, PDGFR and KIT. 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 phenylureas , piperidines , aromatic ether , quinazolines , N-arylpiperazine , N-carbamoylpiperazine , tertiary amino compound .


The molecule <smiles>O1[C@@H](C=2SC=C(N2)C(N)=O)[C@H](O)[C@H](O)[C@H]1CO</smiles> <smiles>O1[C@@H](C=2SC=C(N2)C(N)=O)[C@H](O)[C@H](O)[C@H]1CO</smiles> is A C-glycosyl compound that is 1,3-thiazole-4-carboxamide in which the hydrogen at position 2 has been replaced by a beta-D-ribofuranosyl group. It is metabolised to thiazole-4-carboxamide adenine dinucleotide (TAD), a selective inhibitor of inosine monophosphate dehydrogenase (IMP dehydrogenase). It has the role of antineoplastic agent . It has the role of prodrug . It has the role of EC 1.1.1.205 (IMP dehydrogenase) inhibitor . Its functional parent is beta-D-ribose .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as C-glycosyl compound , 1,3-thiazoles .


The molecule <smiles>[N+]([O-])(=O)C=1C2=CC=3CN4C(C=5COC([C@](C5C=C4C3N=C2C=CC1)(O)CC)=O)=O</smiles> <smiles>[N+]([O-])(=O)C=1C2=CC=3CN4C(C=5COC([C@](C5C=C4C3N=C2C=CC1)(O)CC)=O)=O</smiles> is A pyranoindolizinoquinoline that is camptothecin in which the hydrogen at position 9 has been replaced by a nitro group. It is a prodrug for 9-aminocamptothecin. It has the role of antineoplastic agent . It has the role of prodrug . It has the role of EC 5.99.1.2 (DNA topoisomerase) inhibitor . It is also related to or classified as delta-lactone  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as C-nitro compound , pyranoindolizinoquinoline , semisynthetic derivative .


The molecule <smiles>N12C[C@@](C[C@H](C1)C[C@](C(=O)OC)(C3=C(C=C4C(=C3)[C@]56[C@@H]7[C@]([C@@]([C@@]([C@@]5(N4C)[H])(C(=O)OC)O)([H])OC(C)=O)(C=CCN7CC6)CC)OC)C=8NC=9C(=CC=CC9)C8C2)(C(C)(F)F)[H]</smiles> <smiles>N12C[C@@](C[C@H](C1)C[C@](C(=O)OC)(C3=C(C=C4C(=C3)[C@]56[C@@H]7[C@]([C@@]([C@@]([C@@]5(N4C)[H])(C(=O)OC)O)([H])OC(C)=O)(C=CCN7CC6)CC)OC)C=8NC=9C(=CC=CC9)C8C2)(C(C)(F)F)[H]</smiles> is an organic heteropentacyclic compound and an organic heterotetracyclic compound that is vinorelbine in which the  tetrahydropyridine moiety of the heterotetracyclic part of the molecule has been redced to the corresponding piperidine, and in which the ethyl group attached to this ring has been replaced by a 1,1-difluoroethyl group. It has the role of antineoplastic agent . Its functional parent is vinorelbine . It is also related to or classified as methyl ester  .    It is also related to or classified as acetate ester  . It is also related to or classified as vinca alkaloid , organic heterotetracyclic compound , organic heteropentacyclic compound , semisynthetic derivative .


The molecule <smiles>OCC1=CC(=O)C=2[C@]1([C@]3(OC(=O)[C@@H](C)[C@@]3([C@@H](O)CC2C)[H])[H])[H]</smiles> <smiles>OCC1=CC(=O)C=2[C@]1([C@]3(OC(=O)[C@@H](C)[C@@]3([C@@H](O)CC2C)[H])[H])[H]</smiles> is A sesquiterpene lactone obtained by formal hydrogenation across the 11,13-double bond of lactucin. Found in chicory. It has the role of plant metabolite . Its functional parent is lactucin . It is also related to or classified as primary alcohol  . It is also related to or classified as secondary alcohol  .    It is also related to or classified as enone  . It is also related to or classified as cyclic terpene ketone , sesquiterpene lactone , azulenofuran .


The molecule <smiles>COc1ccc(cc1)-c1oc2cc(O)c(OC)c(O)c2c(=O)c1OC</smiles> <smiles>COc1ccc(cc1)-c1oc2cc(O)c(OC)c(O)c2c(=O)c1OC</smiles> is A trimethoxyflavone that is flavone substituted by methoxy groups at positions 3, 6 and 4' and hydroxy groups at positions 5 and 7 respectively. It has the role of plant metabolite . Its functional parent is flavone . It is also related to or classified as trimethoxyflavone , dihydroxyflavone .


The molecule <smiles>C1([C@@H]([C@H]([C@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(C)=O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)NC(C)=O)O</smiles> <smiles>C1([C@@H]([C@H]([C@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(C)=O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)NC(C)=O)O</smiles> is A branched amino tetrasaccharide consisting of a linear trisaccharide of beta-D-galactose, N-acetyl-beta-D-glucosamine and (at the reducing end) N-acetyl-D-galactosamine residues linked sequentially (1->3) and (1->6), to the N-acetyl-D-galactosamine residue of which is also linked (1->3) a further beta-D-galactose residue. It is also related to or classified as galactosamine oligosaccharide , glucosamine oligosaccharide , amino tetrasaccharide .


The molecule <smiles>[C@@H]1(/C=C/[C@@H](O)CCCCC)[C@H]([C@H](C[C@H]1O)O)C/C=C\CCCC(=O)OCC(CO)O</smiles> <smiles>[C@@H]1(/C=C/[C@@H](O)CCCCC)[C@H]([C@H](C[C@H]1O)O)C/C=C\CCCC(=O)OCC(CO)O</smiles> is A 1-monoglyceride resulting from the condensation of the carboxy group of prostaglandin F2alpha with the 1-hydroxy group of glycerol. It has the role of human metabolite . Its functional parent is prostaglandin F2alpha . It is also related to or classified as secondary alcohol  . It is also related to or classified as 1-monoglyceride  . It is also related to or classified as prostaglandins Falpha  . It is also related to or classified as pentol  . It is also related to or classified as olefinic compound .


The molecule <smiles>C12=[N+]3C(=NC=4N5C(N=C6[N+]7=C(N=C8N(C(=N1)C9=CC=CC=C89)[Cu-2]357)C%10=C(C=CC=C6%10)S(O)(=O)=O)=C%11C=CC=CC4%11)C%12=C(C=CC=C2%12)S(O)(=O)=O</smiles> <smiles>C12=[N+]3C(=NC=4N5C(N=C6[N+]7=C(N=C8N(C(=N1)C9=CC=CC=C89)[Cu-2]357)C%10=C(C=CC=C6%10)S(O)(=O)=O)=C%11C=CC=CC4%11)C%12=C(C=CC=C2%12)S(O)(=O)=O</smiles> is A metallophthalocyanine consisting of a phthalocyanine-disulfonic acid bound to a central copper atom. Used in the form of an arylguanidinium salt as a histological dye. It has the role of fluorochrome . It has the role of histological dye . It is a conjugate acid of Luxol fast blue MBS(2-) . It is also related to or classified as arenesulfonic acid , copper coordination entity , metallophthalocyanines .


The molecule <smiles>N1C=C(C2=C1C=CC(=C2)Br)OC(CCCCCCCCC)=O</smiles> <smiles>N1C=C(C2=C1C=CC(=C2)Br)OC(CCCCCCCCC)=O</smiles> is an decanoate ester obtained by formal condensation of the carboxy group of decanoic acid with the hydroxy group of 5-bromoindoxyl. It has the role of chromogenic compound . Its functional parent is indoxyl .  It is also related to or classified as decanoate ester  . It is also related to or classified as bromoindole .


The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(C)=O)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2CO)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@@H]3O)CO)O[C@H]4[C@@H]([C@H]([C@@H](O[C@@H]4CO)O)NC(C)=O)O)NC(C)=O)NC(C)=O)O</smiles> <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(C)=O)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2CO)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@@H]3O)CO)O[C@H]4[C@@H]([C@H]([C@@H](O[C@@H]4CO)O)NC(C)=O)O)NC(C)=O)NC(C)=O)O</smiles> is A linear amino tetrasaccharide consisting of two N-acetyl-beta-D-galactosaminyl-(1->4)-N-acetyl-beta-D-glucosamine disaccharide units linked (1->3). It is also related to or classified as galactosamine oligosaccharide , glucosamine oligosaccharide , amino tetrasaccharide .


The molecule <smiles>N1C=C(C2=C1C=CC(=C2)Br)O</smiles> <smiles>N1C=C(C2=C1C=CC(=C2)Br)O</smiles> is A member of the class of hydroxyindoles that is indoxyl carrying an additional bromo substituent at position 5. It has the role of chromogenic compound . Its functional parent is indoxyl . It is also related to or classified as bromoindole , heteroaryl hydroxy compound , hydroxyindoles .


The molecule <smiles>O(C(CCCCCCC)=O)C=1C=C2C=CC=CC2=CC1</smiles> <smiles>O(C(CCCCCCC)=O)C=1C=C2C=CC=CC2=CC1</smiles> is A octanoate ester obtained by formal condensation of the carboxy group of octanoic acid with the hydroxy group of 2-naphthol. It has the role of chromogenic compound . Its functional parent is 2-naphthol .   It is also related to or classified as octanoate ester  . It is also related to or classified as naphthalenes , aromatic ester .


The molecule <smiles>O=C(O)CC(Cl)C(O)=O</smiles> <smiles>O=C(O)CC(Cl)C(O)=O</smiles> is A C4-dicarboxylic acid that is succinic acid substituted at position 2 by a chloro group. Its functional parent is succinic acid . It is also related to or classified as alpha,omega-dicarboxylic acid , chlorocarboxylic acid , C4-dicarboxylic acid .


The molecule <smiles>O(C(CCCCCCCCCCCCC)=O)C=1C=C2C=CC=CC2=CC1</smiles> <smiles>O(C(CCCCCCCCCCCCC)=O)C=1C=C2C=CC=CC2=CC1</smiles> is A tetradecanoate ester obtained by formal condensation of the carboxy group of tetradecanoic acid with the hydroxy group of 2-naphthol. It has the role of chromogenic compound . Its functional parent is 2-naphthol .   It is also related to or classified as tetradecanoate ester  . It is also related to or classified as naphthalenes , aromatic ester .


The molecule <smiles>O1[C@@H]([C@H]([C@@H]([C@H]([C@H]1OC=2C=C3C=CC=CC3=CC2)O)O)O)CO</smiles> <smiles>O1[C@@H]([C@H]([C@@H]([C@H]([C@H]1OC=2C=C3C=CC=CC3=CC2)O)O)O)CO</smiles> is an alpha-D-glucoside that is alpha-D-glucopyranose in which the anomeric hydroxy hydrogen is replaced by a 2-naphthyl group. It has the role of chromogenic compound . Its functional parent is 2-naphthol . It is also related to or classified as alpha-D-glucoside  . It is also related to or classified as naphthalenes .


The molecule <smiles>O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC=2C=C3C=CC=CC3=CC2)O)O)O)CO</smiles> <smiles>O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC=2C=C3C=CC=CC3=CC2)O)O)O)CO</smiles> is A beta-D-glucoside that is beta-D-glucopyranose in which the anomeric hydroxy hydrogen is replaced by a 2-naphthyl group. It has the role of chromogenic compound . Its functional parent is 2-naphthol . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as naphthalenes .


The molecule <smiles>O1[C@H]([C@H]([C@H]([C@@H]([C@@H]1OC=2C=C3C=CC=CC3=CC2)O)O)O)C</smiles> <smiles>O1[C@H]([C@H]([C@H]([C@@H]([C@@H]1OC=2C=C3C=CC=CC3=CC2)O)O)O)C</smiles> is an alpha-L-fucoside that is alpha-L-fucopyranose in which the anomeric hydroxy hydrogen is replaced by a 2-naphthyl group. It has the role of chromogenic compound . Its functional parent is 2-naphthol .  It is also related to or classified as alpha-L-fucoside  . It is also related to or classified as naphthalenes .


The molecule <smiles>O1[C@H]([C@H]([C@H]([C@@H]([C@H]1OC=2C=C3C=CC=CC3=CC2)O)O)O)C</smiles> <smiles>O1[C@H]([C@H]([C@H]([C@@H]([C@H]1OC=2C=C3C=CC=CC3=CC2)O)O)O)C</smiles> is A beta-L-fucoside that is beta-L-fucopyranose in which the anomeric hydroxy hydrogen is replaced by a 2-naphthyl group. It has the role of chromogenic compound . Its functional parent is 2-naphthol .  It is also related to or classified as beta-L-fucoside  . It is also related to or classified as naphthalenes .


The molecule <smiles>O1[C@H]([C@H]([C@H]([C@@H]([C@H]1OC=2C=CC(=CC2)[N+]([O-])=O)O)O)O)C</smiles> <smiles>O1[C@H]([C@H]([C@H]([C@@H]([C@H]1OC=2C=CC(=CC2)[N+]([O-])=O)O)O)O)C</smiles> is A beta-L-fucoside that is beta-L-fucopyranose in which the anomeric hydroxy hydrogen is replaced by a 4-nitrophenyl group. It has the role of chromogenic compound . Its functional parent is 4-nitrophenol .  It is also related to or classified as beta-L-fucoside  . It is also related to or classified as C-nitro compound .


The molecule <smiles>O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC=2C=CC(=CC2)[N+]([O-])=O)O)O)O)CO</smiles> <smiles>O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC=2C=CC(=CC2)[N+]([O-])=O)O)O)O)CO</smiles> is A beta-D-glucoside that is beta-D-glucopyranose in which the anomeric hydroxy hydrogen is replaced by a 4-nitrophenyl group. It has the role of chromogenic compound . Its functional parent is 4-nitrophenol . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as C-nitro compound .


The molecule <smiles>[Ca+2].[C@H]1([C@H]([C@H](CC1=O)OCC2=CC=C(C=C2)C=3C=CC=CC3)CC/C=C\CCC([O-])=O)N4CCOCC4.[C@H]1([C@H]([C@H](CC1=O)OCC2=CC=C(C=C2)C=3C=CC=CC3)CC/C=C\CCC([O-])=O)N4CCOCC4</smiles> <smiles>[Ca+2].[C@H]1([C@H]([C@H](CC1=O)OCC2=CC=C(C=C2)C=3C=CC=CC3)CC/C=C\CCC([O-])=O)N4CCOCC4.[C@H]1([C@H]([C@H](CC1=O)OCC2=CC=C(C=C2)C=3C=CC=CC3)CC/C=C\CCC([O-])=O)N4CCOCC4</smiles> is an organic calcium salt that is the hemicalcium salt of (1R,2R,5S)-AH23848. It is also related to or classified as organic calcium salt .


The molecule <smiles>[C@@H]1([C@@H]([C@@H](O)[C@@H]([C@H](O1)CO)O)O)OC=2C=CC=3C=C(C=CC3C2)Br</smiles> <smiles>[C@@H]1([C@@H]([C@@H](O)[C@@H]([C@H](O1)CO)O)O)OC=2C=CC=3C=C(C=CC3C2)Br</smiles> is A beta-D-glucoside that is beta-D-glucopyranose in which the anomeric hydroxy hydrogen is replaced by a 6-bromo-2-naphthyl group. It has the role of chromogenic compound . Its functional parent is 6-bromo-2-naphthol . It is also related to or classified as beta-D-glucoside  .  It is also related to or classified as organobromine compound  . It is also related to or classified as naphthalenes .


The molecule <smiles>[Ca+2].[C@@H]1([C@@H]([C@@H](CC1=O)OCC2=CC=C(C=C2)C=3C=CC=CC3)CC/C=C\CCC([O-])=O)N4CCOCC4.[C@@H]1([C@@H]([C@@H](CC1=O)OCC2=CC=C(C=C2)C=3C=CC=CC3)CC/C=C\CCC([O-])=O)N4CCOCC4</smiles> <smiles>[Ca+2].[C@@H]1([C@@H]([C@@H](CC1=O)OCC2=CC=C(C=C2)C=3C=CC=CC3)CC/C=C\CCC([O-])=O)N4CCOCC4.[C@@H]1([C@@H]([C@@H](CC1=O)OCC2=CC=C(C=C2)C=3C=CC=CC3)CC/C=C\CCC([O-])=O)N4CCOCC4</smiles> is an organic calcium salt that is the hemicalcium salt of (1S,2S,5R)-AH23848. It is also related to or classified as organic calcium salt .


The molecule <smiles>O1[C@H]([C@H]([C@H]([C@@H]([C@@H]1OC=2C=CC(=CC2)[N+]([O-])=O)O)O)O)C</smiles> <smiles>O1[C@H]([C@H]([C@H]([C@@H]([C@@H]1OC=2C=CC(=CC2)[N+]([O-])=O)O)O)O)C</smiles> is an alpha-L-fucoside that is alpha-L-fucopyranose in which the anomeric hydroxy hydrogen is replaced by a 4-nitrophenyl group. It has the role of chromogenic compound . Its functional parent is 4-nitrophenol . It is also related to or classified as alpha-L-fucoside  . It is also related to or classified as C-nitro compound .


The molecule <smiles>C=1C=C(C=CC1OP(OCC[N+](C)(C)C)(=O)OC=2C=CC(=CC2)[N+]([O-])=O)[N+](=O)[O-]</smiles> <smiles>C=1C=C(C=CC1OP(OCC[N+](C)(C)C)(=O)OC=2C=CC(=CC2)[N+]([O-])=O)[N+](=O)[O-]</smiles> is A member of the class of phosphocholines obtained by formal condensation of the phosphate group of phosphocholine with the phenolic groups of two molecules of 4-nitrophenol. It has the role of chromogenic compound . Its functional parent is 4-nitrophenol . It is also related to or classified as C-nitro compound , phosphocholines .


The molecule <smiles>N1(C=NC2=C1C=C(C(=C2F)NC3=CC=C(C=C3Cl)Br)C(=O)NOCCO)C</smiles> <smiles>N1(C=NC2=C1C=C(C(=C2F)NC3=CC=C(C=C3Cl)Br)C(=O)NOCCO)C</smiles> is A member of the class of benzimidazoles that is 1-methyl-1H-benzimidazole which is substituted at positions 4, 5, and 6 by fluorine, (4-bromo-2-chlorophenyl)amino, and N-(2-hydroxyethoxy)aminocarbonyl groups, respectively. It is a MEK1 and MEK2 inhibitor. It has the role of anticoronaviral agent . It has the role of antineoplastic agent . It has the role of EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor .  It is also related to or classified as organofluorine compound  .   It is also related to or classified as hydroxamic acid ester  . It is also related to or classified as benzimidazoles , bromobenzenes , secondary amino compound , monochlorobenzenes .


The molecule <smiles>O=C(O)C(=O)OCC1=CC(=O)C=2[C@]1([C@]3(OC(=O)C(=C)[C@@]3([C@@H](O)CC2C)[H])[H])[H]</smiles> <smiles>O=C(O)C(=O)OCC1=CC(=O)C=2[C@]1([C@]3(OC(=O)C(=C)[C@@]3([C@@H](O)CC2C)[H])[H])[H]</smiles> is A sesquiterpene lactone obtained by formal condensation of one of the carboxy groups of oxalic acid with the 15-hydroxy group of lactucin. Found in chicory. It has the role of plant metabolite . Its functional parent is oxalic acid . Its functional parent is lactucin . It is also related to or classified as secondary alcohol  .     It is also related to or classified as enone  . It is also related to or classified as oxo monocarboxylic acid , cyclic terpene ketone , sesquiterpene lactone , azulenofuran .


The molecule <smiles>O(CC1=CC(=O)C2=C(C)CC[C@]3(C(=C)C(=O)O[C@@]3([C@@]12[H])[H])[H])C(C(=O)O)=O</smiles> <smiles>O(CC1=CC(=O)C2=C(C)CC[C@]3(C(=C)C(=O)O[C@@]3([C@@]12[H])[H])[H])C(C(=O)O)=O</smiles> is A sesquiterpene lactone obtained by formal condensation of one of the carboxy groups of oxalic acid with the 15-hydroxy group of 8-deoxylactucin. Found in chicory. It has the role of plant metabolite . Its functional parent is oxalic acid .     It is also related to or classified as enone  . It is also related to or classified as oxo monocarboxylic acid , cyclic terpene ketone , sesquiterpene lactone , azulenofuran .


The molecule <smiles>O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC=2C=CC(=CC2)[N+]([O-])=O)O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)CO</smiles> <smiles>O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC=2C=CC(=CC2)[N+]([O-])=O)O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)CO</smiles> is A disaccharide derivative that is beta-lactose in which the anomeric hydroxy hydrogen is replaced by a 4-nitrophenyl group. It has the role of chromogenic compound . Its functional parent is 4-nitrophenol . Its functional parent is beta-lactose . It is also related to or classified as glycoside  . It is also related to or classified as C-nitro compound , disaccharide derivative .


The molecule <smiles>OCC1=CC(=O)C2=C(C)C[C@@H]([C@]3(C(=C)C(=O)O[C@@]3([C@@]12[H])[H])[H])OC(=O)CC=4C=CC(O)=CC4</smiles> <smiles>OCC1=CC(=O)C2=C(C)C[C@@H]([C@]3(C(=C)C(=O)O[C@@]3([C@@]12[H])[H])[H])OC(=O)CC=4C=CC(O)=CC4</smiles> is lactucopicrin. It has the role of sedative . It has the role of antimalarial . It has the role of plant metabolite . Its functional parent is 4-hydroxyphenylacetic acid . Its functional parent is lactucin . It is also related to or classified as primary alcohol  . It is also related to or classified as phenols  .    It is also related to or classified as enone  . It is also related to or classified as cyclic terpene ketone , sesquiterpene lactone , azulenofuran .


The molecule <smiles>O(CC1=CC(=O)C2=C(C)CC[C@]3([C@H](C)C(=O)O[C@@]3([C@@]12[H])[H])[H])C(C(=O)O)=O</smiles> <smiles>O(CC1=CC(=O)C2=C(C)CC[C@]3([C@H](C)C(=O)O[C@@]3([C@@]12[H])[H])[H])C(C(=O)O)=O</smiles> is A sesquiterpene lactone obtained by formal condensation of one of the carboxy groups of oxalic acid with the 15-hydroxy group of 11beta,13-dihydro-8-deoxylactucin. Found in chicory. It has the role of plant metabolite . Its functional parent is oxalic acid .     It is also related to or classified as enone  . It is also related to or classified as oxo monocarboxylic acid , cyclic terpene ketone , sesquiterpene lactone , azulenofuran .


The molecule <smiles>O1[C@@H](C=2C(=C(NN2)C(N)=O)O)[C@H](O)[C@H](O)[C@H]1CO</smiles> <smiles>O1[C@@H](C=2C(=C(NN2)C(N)=O)O)[C@H](O)[C@H](O)[C@H]1CO</smiles> is A C-glycosyl compound that is 4-hydroxy-1H-pyrazole-5-carboxamide in which the hydrogen at position 3 has been replaced by a beta-D-ribofuranosyl group. It has the role of antimicrobial agent . It has the role of antimetabolite . It has the role of antineoplastic agent . It has the role of EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor . Its functional parent is beta-D-ribose . It is also related to or classified as C-glycosyl compound , pyrazoles .


The molecule <smiles>OCC1=CC(=O)C2=C(C)C[C@@H]([C@]3([C@H](C)C(=O)O[C@@]3([C@@]12[H])[H])[H])OC(=O)CC=4C=CC(O)=CC4</smiles> <smiles>OCC1=CC(=O)C2=C(C)C[C@@H]([C@]3([C@H](C)C(=O)O[C@@]3([C@@]12[H])[H])[H])OC(=O)CC=4C=CC(O)=CC4</smiles> is A sesquiterpene lactone obtained by formal condensation of the carboxy group of 4-hydroxyphenylacetic acid with the 8-hydroxy group of 11beta,13-dihydrolactucin. Found in chicory. It has the role of plant metabolite . Its functional parent is 4-hydroxyphenylacetic acid . Its functional parent is lactucin . It is also related to or classified as primary alcohol  . It is also related to or classified as phenols  .    It is also related to or classified as enone  . It is also related to or classified as cyclic terpene ketone , sesquiterpene lactone , azulenofuran .


The molecule <smiles>N(CCCNCC)CCCCNCCCNCC</smiles> <smiles>N(CCCNCC)CCCCNCCCNCC</smiles> is A substituted spermine that is spermine in which a hydrogen attached to each of the primary amino groups has been replaced by an ethyl group. It has the role of antineoplastic agent . It is also related to or classified as substituted spermine , tetramine , polyazaalkane , secondary amino compound .


The molecule <smiles>OCC1=CC(=O)C2=C(C)CC[C@]3([C@H](C)C(=O)O[C@@]3([C@@]12[H])[H])[H]</smiles> <smiles>OCC1=CC(=O)C2=C(C)CC[C@]3([C@H](C)C(=O)O[C@@]3([C@@]12[H])[H])[H]</smiles> is A sesquiterpene lactone obtained by formal hydrogenation across the 11,13-double bond of 8-deoxylactucin. Found in chicory. It has the role of plant metabolite . Its functional parent is lactucin . It is also related to or classified as primary alcohol  .    It is also related to or classified as enone  . It is also related to or classified as cyclic terpene ketone , sesquiterpene lactone , azulenofuran .


The molecule <smiles>O=C(O)C(=O)OCC1=CC(=O)C=2[C@]1([C@]3(OC(=O)C(C)[C@@]3([C@@H](O)CC2C)[H])[H])[H]</smiles> <smiles>O=C(O)C(=O)OCC1=CC(=O)C=2[C@]1([C@]3(OC(=O)C(C)[C@@]3([C@@H](O)CC2C)[H])[H])[H]</smiles> is A sesquiterpene lactone obtained by formal condensation of one of the carboxy groups of oxalic acid with the 15-hydroxy group of 11beta,13-dihydrolactucin. Found in chicory. It has the role of plant metabolite . Its functional parent is oxalic acid . Its functional parent is lactucin . It is also related to or classified as secondary alcohol  .     It is also related to or classified as enone  . It is also related to or classified as oxo monocarboxylic acid , cyclic terpene ketone , sesquiterpene lactone , azulenofuran .


The molecule <smiles>O(CC1=CC(=O)C2=C(C)C[C@@H]([C@]3(C(=C)C(=O)O[C@@]3([C@@]12[H])[H])[H])OC(=O)CC=4C=CC(O)=CC4)C(C(=O)O)=O</smiles> <smiles>O(CC1=CC(=O)C2=C(C)C[C@@H]([C@]3(C(=C)C(=O)O[C@@]3([C@@]12[H])[H])[H])OC(=O)CC=4C=CC(O)=CC4)C(C(=O)O)=O</smiles> is A sesquiterpene lactone obtained by formal condensation of one of the carboxy groups of oxalic acid with the 15-hydroxy group of lactucopicrin. Found in chicory. It has the role of plant metabolite . Its functional parent is oxalic acid . Its functional parent is 4-hydroxyphenylacetic acid . Its functional parent is lactucin . 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 oxo monocarboxylic acid , cyclic terpene ketone , sesquiterpene lactone , azulenofuran .


The molecule <smiles>CC1=NN(C(O)=C1N=NC2=CC=C(OS(=O)(=O)C3=CC=C(C)C=C3)C=C2)C4=C(C=C(Cl)C=C4)S([O-])(=O)=O.[Na+]</smiles> <smiles>CC1=NN(C(O)=C1N=NC2=CC=C(OS(=O)(=O)C3=CC=C(C)C=C3)C=C2)C4=C(C=C(Cl)C=C4)S([O-])(=O)=O.[Na+]</smiles> is an organic sodium salt that is the monosodium salt of 5-chloro-2-[5-hydroxy-3-methyl-4-({4-[(4-methylbenzene-1-sulfonyl)oxy]phenyl}diazenyl)-1H-pyrazol-1-yl]benzene-1-sulfonic acid. It has the role of histological dye . It is also related to or classified as organic sodium salt .


The molecule <smiles>C1(=C(C=C(C=C1C)O)O)NC2=C(C3=C4C(=C(NC5=C(C=C(C=C5C)O)O)C(C=C4OC3=CC2=O)=O)C)C</smiles> <smiles>C1(=C(C=C(C=C1C)O)O)NC2=C(C3=C4C(=C(NC5=C(C=C(C=C5C)O)O)C(C=C4OC3=CC2=O)=O)C)C</smiles> is A member of the class of benzofurans that is dibenzo[b,d]furan-3,7-dione bearing two methyl substituents at positions 1 and 9 as well as two 2,4-dihydroxy-6-methylanilino substituents at positions 2 and 8.     It is also related to or classified as quinomethanes  . It is also related to or classified as polyphenol , resorcinols , dibenzofurans , secondary amino compound .


The molecule <smiles>CC1=NN(C(O)=C1N=NC2=CC=C(OS(=O)(=O)C3=CC=C(C)C=C3)C=C2)C4=C(C=C(Cl)C=C4)S([O-])(=O)=O</smiles> <smiles>CC1=NN(C(O)=C1N=NC2=CC=C(OS(=O)(=O)C3=CC=C(C)C=C3)C=C2)C4=C(C=C(Cl)C=C4)S([O-])(=O)=O</smiles> is an organosulfonate oxoanion that is conjugate base of Milling yellow 3G (free acid), resulting from the deprotonation of the sulfo group; Major species at pH 7.3. It is also related to or classified as organosulfonate oxoanion  .


The molecule <smiles>O(CC1=CC(=O)C2=C(C)C[C@@H]([C@]3([C@H](C)C(=O)O[C@@]3([C@@]12[H])[H])[H])OC(=O)CC=4C=CC(O)=CC4)C(C(=O)O)=O</smiles> <smiles>O(CC1=CC(=O)C2=C(C)C[C@@H]([C@]3([C@H](C)C(=O)O[C@@]3([C@@]12[H])[H])[H])OC(=O)CC=4C=CC(O)=CC4)C(C(=O)O)=O</smiles> is A sesquiterpene lactone obtained by formal condensation of one of the carboxy groups of oxalic acid with the 15-hydroxy group of 11beta,13-dihydrolactucopicrin. Found in chicory. It has the role of plant metabolite . Its functional parent is oxalic acid . Its functional parent is 4-hydroxyphenylacetic acid . Its functional parent is lactucin . 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 oxo monocarboxylic acid , cyclic terpene ketone , sesquiterpene lactone , azulenofuran .


The molecule <smiles>CC1=NN(C(O)=C1N=NC2=CC=C(OS(=O)(=O)C3=CC=C(C)C=C3)C=C2)C4=C(C=C(Cl)C=C4)S(O)(=O)=O</smiles> <smiles>CC1=NN(C(O)=C1N=NC2=CC=C(OS(=O)(=O)C3=CC=C(C)C=C3)C=C2)C4=C(C=C(Cl)C=C4)S(O)(=O)=O</smiles> is an arenesulfonic acid that is 5-chloro-2-(pyrazol-1-yl)benzene-1-sulfonic acid in which the pyrazole ring is substituted by methyl, 4-(tosyloxy)phenyldiazenyl and hydroxy groups at positions 3, 4, and 5 respctively. The monosodium salt is the biological stain 'Milling yellow 3G'. It has the role of histological dye . It is a conjugate acid of Milling yellow 3G(1-) . It is also related to or classified as azobenzenes  .    It is also related to or classified as tosylate ester  . It is also related to or classified as pyrazoles , arenesulfonic acid , heteroaryl hydroxy compound , monochlorobenzenes .


The molecule <smiles>N(C([C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC([C@@H]1CCCN1)=O)CC=2C=CC(=CC2)OP(=O)(O)O)CC(C)C)CCCCN)=O)[C@H](C(N[C@H](C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@@H](CC(C)C)C(N3[C@@H](CCC3)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N4[C@@H](CCC4)C(=O)O)=O)C)=O)C)CC(C)C)CC(C)C)C(C)C)=O)=O)CC(C)C)=O)C(C)C)C)C)=O)CCCCN)=O)[C@H](O)C</smiles> <smiles>N(C([C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC([C@@H]1CCCN1)=O)CC=2C=CC(=CC2)OP(=O)(O)O)CC(C)C)CCCCN)=O)[C@H](C(N[C@H](C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@@H](CC(C)C)C(N3[C@@H](CCC3)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N4[C@@H](CCC4)C(=O)O)=O)C)=O)C)CC(C)C)CC(C)C)C(C)C)=O)=O)CC(C)C)=O)C(C)C)C)C)=O)CCCCN)=O)[C@H](O)C</smiles> is A linear eighteen-membered polypeptide comprising the sequence Pro-Tyr-(PO3H2)-Leu-Lys-Thr-Lys-Ala-Ala-Val-Leu-Leu-Pro-Val-Leu-Leu-Ala-Ala-Pro. It has the role of STAT3 inhibitor . It is also related to or classified as polypeptide  .


The molecule <smiles>C(CC)S(NC1=CC=C(C(=C1F)C(C=2C3=C(N=CC(=C3)Cl)NC2)=O)F)(=O)=O</smiles> <smiles>C(CC)S(NC1=CC=C(C(=C1F)C(C=2C3=C(N=CC(=C3)Cl)NC2)=O)F)(=O)=O</smiles> is A pyrrolopyridine that is vemurafenib in which the p-chlorophenyl group has been replaced by chlorine. It is a potent and selective inhibitor of the Raf kinase B-Raf(V600E). It has the role of antineoplastic agent . It has the role of B-Raf inhibitor . It is also related to or classified as sulfonamide  . It is also related to or classified as organochlorine compound  . It is also related to or classified as difluorobenzene  . It is also related to or classified as pyrrolopyridine , aromatic ketone .


The molecule <smiles>C=12C=C(C(=C(C1N=C3C(O2)=CC(C(=C3C)C4=C(C=C(C=C4O)O)C)=O)C)C=5C(=CC(=CC5C)O)O)O</smiles> <smiles>C=12C=C(C(=C(C1N=C3C(O2)=CC(C(=C3C)C4=C(C=C(C=C4O)O)C)=O)C)C=5C(=CC(=CC5C)O)O)O</smiles> is A member of the class of phenoxazines that is 1,9-dimethyl-3H-phenoxazin-3-one carrying an additional hydroxy substituent at position 7 as well as two 2,4-dihydroxy-6-methylphenyl substituents at positions 2 and 8. The isomer in which the hydroxy groups at positions 2' and 2'' on the phenyl rings are both on the same side of the plane of the phenoxazine ring system. A component of orcein, a mixture of dyes isolated from lichens. It has the role of plant metabolite . It has the role of histological dye . It has the role of food colouring . It is also related to or classified as phenoxazine , polyphenol , resorcinols , cyclic ketone .


The molecule <smiles>C=12C=C(C(=C(C1N=C3C(O2)=CC(C=C3C)=O)C)C=4C(=CC(=CC4C)O)O)O</smiles> <smiles>C=12C=C(C(=C(C1N=C3C(O2)=CC(C=C3C)=O)C)C=4C(=CC(=CC4C)O)O)O</smiles> is A member of the class of phenoxazines that is 1,9-dimethyl-3H-phenoxazin-3-one carrying additional hydroxy and 2,4-dihydroxy-6-methylphenyl substituents at positions 7 and 8 respectively. A component of orcein, a mixture of dyes isolated from lichens. It has the role of plant metabolite . It has the role of histological dye . It has the role of food colouring . It is also related to or classified as phenoxazine , polyphenol , resorcinols , cyclic ketone .


The molecule <smiles>C=12C=C(C(=C(C1N=C3C(O2)=CC(C(=C3C)C4=C(C=C(C=C4O)O)C)=O)C)C=5C(=CC(=CC5C)O)O)N</smiles> <smiles>C=12C=C(C(=C(C1N=C3C(O2)=CC(C(=C3C)C4=C(C=C(C=C4O)O)C)=O)C)C=5C(=CC(=CC5C)O)O)N</smiles> is A member of the class of phenoxazines that is 1,9-dimethyl-3H-phenoxazin-3-one carrying an additional amino substituent at position 7 as well as two 2,4-dihydroxy-6-methylphenyl substituents at positions 2 and 8. The isomer in which the hydroxy groups at positions 2' and 2'' on the phenyl rings are both on the same side of the plane of the phenoxazine ring system. A component of orcein, a mixture of dyes isolated from lichens. It has the role of plant metabolite . It has the role of histological dye . It has the role of food colouring . It is also related to or classified as phenoxazine , polyphenol , resorcinols , aromatic amine , cyclic ketone .


The molecule <smiles>C=12C=C(C(=C(C1N=C3C(O2)=CC(C(=C3C)C4=C(C=C(C=C4O)O)C)=O)C)C=5C(=CC(=CC5C)O)O)O</smiles> <smiles>C=12C=C(C(=C(C1N=C3C(O2)=CC(C(=C3C)C4=C(C=C(C=C4O)O)C)=O)C)C=5C(=CC(=CC5C)O)O)O</smiles> is A member of the class of phenoxazines that is 1,9-dimethyl-3H-phenoxazin-3-one carrying an additional hydroxy substituent at position 7 as well as two 2,4-dihydroxy-6-methylphenyl substituents at positions 2 and 8. The isomer in which the hydroxy groups at positions 2' and 2'' on the phenyl rings are situated on opposite sides of the plane of the phenoxazine ring system. A component of orcein, a mixture of dyes isolated from lichens. It has the role of plant metabolite . It has the role of histological dye . It has the role of food colouring . It is also related to or classified as phenoxazine , polyphenol , resorcinols , cyclic ketone .


The molecule <smiles>C1(=CC=CC(=C1)NC2=NC(=NC=C2C)NC3=CC=C(C=C3)N4CCN(CC4)C)S(NC(C)(C)C)(=O)=O</smiles> <smiles>C1(=CC=CC(=C1)NC2=NC(=NC=C2C)NC3=CC=C(C=C3)N4CCN(CC4)C)S(NC(C)(C)C)(=O)=O</smiles> is A member of the class of pyrimidines that is 5-methylpyrimidine-2,4-diamine in which the amino group at position 2 is substituted by a p-(4-methylpiperazin-1-yl)phenyl group, while that at position 4 is substituted by a m-(tert-butylsulfamoyl)phenyl group. A Janus kinase 2 (JAK2) inhibitor. It has the role of antineoplastic agent . It has the role of apoptosis inducer . It has the role of EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor . It is also related to or classified as sulfonamide  . It is also related to or classified as pyrimidines , N-alkylpiperazine , N-arylpiperazine , secondary amino compound .


The molecule <smiles>C=12C=C(C(=C(C1N=C3C(O2)=CC(C(=C3C)C4=C(C=C(C=C4C)O)O)=N)C)C=5C(=CC(=CC5O)O)C)N</smiles> <smiles>C=12C=C(C(=C(C1N=C3C(O2)=CC(C(=C3C)C4=C(C=C(C=C4C)O)O)=N)C)C=5C(=CC(=CC5O)O)C)N</smiles> is A member of the class of phenoxazines that is 3-imino-1,9-dimethyl-3H-phenoxazine carrying an additional amino substituent at position 7 as well as two 2,4-dihydroxy-6-methylphenyl substituents at positions 2 and 8. The isomer in which the hydroxy groups at positions 2' and 2'' on the phenyl rings are both on the same side of the plane of the phenoxazine ring system. A component of orcein, a mixture of dyes isolated from lichens. It has the role of plant metabolite . It has the role of histological dye . It has the role of food colouring .   It is also related to or classified as ketimine  . It is also related to or classified as phenoxazine , polyphenol , resorcinols , aromatic amine .


The molecule <smiles>[Na+].[Na+].C1=C(C=CC(=C1)N=NC2=CC(=C(C=C2)N=NC3=C4C(=CC(=C3O)S([O-])(=O)=O)C=C(C=C4)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O.[Na+].[Na+]</smiles> <smiles>[Na+].[Na+].C1=C(C=CC(=C1)N=NC2=CC(=C(C=C2)N=NC3=C4C(=CC(=C3O)S([O-])(=O)=O)C=C(C=C4)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O.[Na+].[Na+]</smiles> is an organic sodium salt that is the tetrasodium salt of 3-hydroxy-4-({2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl}diazenyl)naphthalene-2,7-disulfonic acid. It has the role of fluorochrome . It has the role of histological dye . It is also related to or classified as organic sodium salt , organosulfonate salt .


The molecule <smiles>C=12C=C(C(=C(C1N=C3C(O2)=CC(C(=C3C)C4=C(C=C(C=C4O)O)C)=O)C)C=5C(=CC(=CC5C)O)O)N</smiles> <smiles>C=12C=C(C(=C(C1N=C3C(O2)=CC(C(=C3C)C4=C(C=C(C=C4O)O)C)=O)C)C=5C(=CC(=CC5C)O)O)N</smiles> is A member of the class of phenoxazines that is 1,9-dimethyl-3H-phenoxazin-3-one carrying an additional amino substituent at position 7 as well as two 2,4-dihydroxy-6-methylphenyl substituents at positions 2 and 8. The isomer in which the hydroxy groups at positions 2' and 2'' on the phenyl rings are situated on opposite sides of the plane of the phenoxazine ring system. A component of orcein, a mixture of dyes isolated from lichens. It has the role of plant metabolite . It has the role of histological dye . It has the role of food colouring . It is also related to or classified as phenoxazine , polyphenol , resorcinols , aromatic amine , cyclic ketone .


The molecule <smiles>C(=O)(O)CCC1=CC=C(C=C1)[N+]([O-])=O</smiles> <smiles>C(=O)(O)CCC1=CC=C(C=C1)[N+]([O-])=O</smiles> is A monocarboxylic acid that is 3-phenylpropionic acid in which the hydrogen at the para position of the phennyl group has been replaced by a nitro group. It has the role of chromogenic compound . Its functional parent is 3-phenylpropionic acid . It is also related to or classified as monocarboxylic acid , C-nitro compound .


The molecule <smiles>C=12C=C(C(=C(C1N=C3C(O2)=CC(C=C3C)=O)C)C=4C(=CC(=CC4C)O)O)N</smiles> <smiles>C=12C=C(C(=C(C1N=C3C(O2)=CC(C=C3C)=O)C)C=4C(=CC(=CC4C)O)O)N</smiles> is A member of the class of phenoxazines that is 1,9-dimethyl-3H-phenoxazin-3-one carrying additional amino and 2,4-dihydroxy-6-methylphenyl substituents at positions 7 and 8 respectively. A component of orcein, a mixture of dyes isolated from lichens. It has the role of plant metabolite . It has the role of histological dye . It has the role of food colouring . It is also related to or classified as phenoxazine , resorcinols , aromatic amine , cyclic ketone .


The molecule <smiles>N([C@H](C(O)=O)[C@@H](C)CC)C([C@@H](N)CO)=O</smiles> <smiles>N([C@H](C(O)=O)[C@@H](C)CC)C([C@@H](N)CO)=O</smiles> is A dipeptide obtained by formal condensation of the carboxy group of L-serine with the amino group of L-isoleucine. It is also related to or classified as dipeptide  .


The molecule <smiles>C(CC(C(CCCCCCCCCCCCCCCCCCCC1C(CCCCCCCCCCCCCC[C@@H](O)[C@H](C(=O)O)CCCCCCCCCCCCCCCCCCCCCCCC)C1)OC)C)CCCCCCCCCCCCCCCC</smiles> <smiles>C(CC(C(CCCCCCCCCCCCCCCCCCCC1C(CCCCCCCCCCCCCC[C@@H](O)[C@H](C(=O)O)CCCCCCCCCCCCCCCCCCCCCCCC)C1)OC)C)CCCCCCCCCCCCCCCC</smiles> is A C85 alpha-mycolic acid produced by Mycobacterium tuberculosis having a C58 meromycolic chain with one cis cyclopropyl function, one methoxy function and one methyl subsituent, and a saturated C24 alpha-branch. It has the role of allergen . It has the role of bacterial metabolite . It is also related to or classified as hydroxy fatty acid , mycolic acid .


The molecule <smiles>O1[C@@H]([C@H]([C@@H]([C@H]([C@H]1OC=2C(=CC=CC2)[N+]([O-])=O)NC(=O)C)O)O)CO</smiles> <smiles>O1[C@@H]([C@H]([C@@H]([C@H]([C@H]1OC=2C(=CC=CC2)[N+]([O-])=O)NC(=O)C)O)O)CO</smiles> is an N-acetyl-alpha-D-glucosaminide in which the anomeric hydroxy hydrogen is replaced by a 2-nitrophenyl group. It has the role of chromogenic compound . Its functional parent is 2-nitrophenol . It is also related to or classified as N-acetyl-alpha-D-glucosaminide  . It is also related to or classified as C-nitro compound .


The molecule <smiles>C=12C=C(C(=C(C1N=C3C(O2)=CC(C(=C3C)C4=C(C=C(C=C4C)O)O)=N)C)C=5C(=CC(=CC5C)O)O)N</smiles> <smiles>C=12C=C(C(=C(C1N=C3C(O2)=CC(C(=C3C)C4=C(C=C(C=C4C)O)O)=N)C)C=5C(=CC(=CC5C)O)O)N</smiles> is A member of the class of phenoxazines that is 3-imino-1,9-dimethyl-3H-phenoxazine carrying an additional amino substituent at position 7 as well as two 2,4-dihydroxy-6-methylphenyl substituents at positions 2 and 8. The isomer in which the hydroxy groups at positions 2' and 2'' on the phenyl rings are situated on opposite sides of the plane of the phenoxazine ring system. A component of orcein, a mixture of dyes isolated from lichens. It has the role of plant metabolite . It has the role of histological dye . It has the role of food colouring .   It is also related to or classified as ketimine  . It is also related to or classified as phenoxazine , polyphenol , resorcinols , aromatic amine .


The molecule <smiles>C1=C(C=CC(=C1)N=NC2=CC(=C(C=C2)N=NC3=C4C(=CC(=C3O)S([O-])(=O)=O)C=C(C=C4)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O</smiles> <smiles>C1=C(C=CC(=C1)N=NC2=CC(=C(C=C2)N=NC3=C4C(=CC(=C3O)S([O-])(=O)=O)C=C(C=C4)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O</smiles> is an organosulfonate oxoanion obtained by deprotonation of the sulfo groups of Ponceau S. It is also related to or classified as organosulfonate oxoanion  .


The molecule <smiles>C1=C(C=CC(=C1)N=NC2=CC(=C(C=C2)N=NC3=C4C(=CC(=C3O)S(O)(=O)=O)C=C(C=C4)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O</smiles> <smiles>C1=C(C=CC(=C1)N=NC2=CC(=C(C=C2)N=NC3=C4C(=CC(=C3O)S(O)(=O)=O)C=C(C=C4)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O</smiles> is an arenesulfonic acid that is 3-hydroxynaphthalene-2,7-disulfonic acid carrying a {2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl}diazenyl group at position 4. The tetrasodium salt is the biological stain 'Ponceau S'. It has the role of fluorochrome . It has the role of histological dye . It is a conjugate acid of Ponceau S(4-) . It is also related to or classified as azobenzenes  . It is also related to or classified as naphthols , arenesulfonic acid , bis(azo) compound .


The molecule <smiles>C(=O)([C@@H](N)C(C)C)N[C@H](C(=O)O)[C@@H](C)O</smiles> <smiles>C(=O)([C@@H](N)C(C)C)N[C@H](C(=O)O)[C@@H](C)O</smiles> is A dipeptide obtained by formal condensation of the carboxy group of L-valine with the amino group of L-threonine. It is also related to or classified as dipeptide  .


The molecule <smiles>O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC=2C=3C(C=CC2)=CC=CC3)NC(=O)C)O)O)CO</smiles> <smiles>O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC=2C=3C(C=CC2)=CC=CC3)NC(=O)C)O)O)CO</smiles> is an N-acetyl-beta-D-glucosaminide in which the anomeric hydroxy hydrogen is replaced by a 1-naphthyl group. It has the role of chromogenic compound . Its functional parent is 1-naphthol .  It is also related to or classified as N-acetyl-beta-D-glucosaminide  . It is also related to or classified as naphthalenes .


The molecule <smiles>N1C=C(C2=C1C=CC(=C2Cl)Br)O[C@]3([C@H](NC(=O)C)[C@@H](O)[C@H](O)[C@H](O3)CO)[H]</smiles> <smiles>N1C=C(C2=C1C=CC(=C2Cl)Br)O[C@]3([C@H](NC(=O)C)[C@@H](O)[C@H](O)[C@H](O3)CO)[H]</smiles> is an indolyl carbohydrate that is the N-acetyl-beta-D-glucosaminide of indoxyl in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively. It has the role of chromogenic compound . Its functional parent is indoxyl .    It is also related to or classified as N-acetyl-beta-D-glucosaminide  . It is also related to or classified as indolyl carbohydrate , chloroindole , bromoindole .


The molecule <smiles>C=1C=CC2=C(C1)C=C(N2)/C=C/C(=O)O</smiles> <smiles>C=1C=CC2=C(C1)C=C(N2)/C=C/C(=O)O</smiles> is an alpha,beta-unsaturated monocarboxylic acid that is acrylic acid in which one of the hydrogens at position 3 is replaced by an indol-2-yl group. Its functional parent is acrylic acid . It is also related to or classified as indoles , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC=2C(=CC=CC2)[N+]([O-])=O)NC(=O)C)O)O)CO</smiles> <smiles>O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC=2C(=CC=CC2)[N+]([O-])=O)NC(=O)C)O)O)CO</smiles> is an N-acetyl-beta-D-glucosaminide in which the anomeric hydroxy hydrogen is replaced by a 2-nitrophenyl group. It has the role of chromogenic compound . Its functional parent is 2-nitrophenol .  It is also related to or classified as N-acetyl-beta-D-glucosaminide  . It is also related to or classified as C-nitro compound .


The molecule <smiles>C(=O)([C@@H](N)[C@H](O)C)N[C@H](C(=O)O)C(C)C</smiles> <smiles>C(=O)([C@@H](N)[C@H](O)C)N[C@H](C(=O)O)C(C)C</smiles> is A dipeptide obtained by formal condensation of the carboxy group of L-threonine with the amino group of L-valine. It is also related to or classified as dipeptide  .


The molecule <smiles>O1[C@@H]([C@@H]([C@@H]([C@H]([C@@H]1OC[C@@H](COC(CCCCCCCCCCC)=O)OC(CCCCCCCCCCC)=O)O)O)O)CO[C@H]2O[C@@H]([C@H](O)[C@@H]([C@H]2O)O)CO</smiles> <smiles>O1[C@@H]([C@@H]([C@@H]([C@H]([C@@H]1OC[C@@H](COC(CCCCCCCCCCC)=O)OC(CCCCCCCCCCC)=O)O)O)O)CO[C@H]2O[C@@H]([C@H](O)[C@@H]([C@H]2O)O)CO</smiles> is A glycolipid that consists of 1,2-diacyl-sn-glycerol having dodecanoyl as the acyl groups and an alpha-D-galactosyl-(1->6)-beta-D-galactosyl residue attached at position 3. It is also related to or classified as glycoglycerolipid , disaccharide derivative .


The molecule <smiles>O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC=2C=CC(=CC2)[N+]([O-])=O)NC(=O)C)O)O)CO</smiles> <smiles>O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC=2C=CC(=CC2)[N+]([O-])=O)NC(=O)C)O)O)CO</smiles> is an N-acetyl-beta-D-glucosaminide in which the anomeric hydroxy hydrogen is replaced by a 4-nitrophenyl group. It has the role of chromogenic compound . Its functional parent is 4-nitrophenol .  It is also related to or classified as N-acetyl-beta-D-glucosaminide  . It is also related to or classified as C-nitro compound .


The molecule <smiles>C(CC(C(CCCCCCCCCCCCCCCCCCCC1C(CCCCCCCCCCCCCC[C@@H](O)[C@H](C(=O)OC[C@H]2O[C@H]([C@@H]([C@H]([C@@H]2O)O)O)O)CCCCCCCCCCCCCCCCCCCCCCCC)C1)OC)C)CCCCCCCCCCCCCCCC</smiles> <smiles>C(CC(C(CCCCCCCCCCCCCCCCCCCC1C(CCCCCCCCCCCCCC[C@@H](O)[C@H](C(=O)OC[C@H]2O[C@H]([C@@H]([C@H]([C@@H]2O)O)O)O)CCCCCCCCCCCCCCCCCCCCCCCC)C1)OC)C)CCCCCCCCCCCCCCCC</smiles> is A mycolate ester formed by esterification of (2R)-2-{(1R)-1-hydroxy-15-[2-(20-methoxy-21-methylnonatriacontyl)cyclopropyl]pentadecyl}hexacosanoic acid with the 6-OH of D-glucose. It has the role of antigen . Its functional parent is D-glucopyranose . Its functional parent is (2R)-2-{(1R)-1-hydroxy-15-[2-(20-methoxy-21-methylnonatriacontyl)cyclopropyl]pentadecyl}hexacosanoic acid . It is also related to or classified as mycolate ester .


The molecule <smiles>N1C=C(C2=C1C=CC(=C2Cl)Br)O</smiles> <smiles>N1C=C(C2=C1C=CC(=C2Cl)Br)O</smiles> is A member of the class of hydroxyindoles that is indoxyl carrying additional chloro and bromo substituents at positions 4 and 5 respectively. It has the role of chromogenic compound . Its functional parent is indoxyl . It is also related to or classified as chloroindole , bromoindole , heteroaryl hydroxy compound , hydroxyindoles .


The molecule <smiles>O1[C@@H]([C@@H]([C@@H]([C@H]([C@@H]1OC[C@@H](COC(CCCCCCCCCCC)=O)OC(CCCCCCCCCCC)=O)O)O)O)CO</smiles> <smiles>O1[C@@H]([C@@H]([C@@H]([C@H]([C@@H]1OC[C@@H](COC(CCCCCCCCCCC)=O)OC(CCCCCCCCCCC)=O)O)O)O)CO</smiles> is A 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as dodecanoyl (lauroyl). Its functional parent is dodecanoic acid . It is also related to or classified as 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol  .


The molecule <smiles>C(=O)(CN)NC=1C=CC2=C(C1)C=CC=C2</smiles> <smiles>C(=O)(CN)NC=1C=CC2=C(C1)C=CC=C2</smiles> is A glycine derivative that is the amide obtained by formal condensation of the carboxy group of glycine with the amino group of 2-naphthylamine. It has the role of chromogenic compound .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , glycine derivative .


The molecule <smiles>C(CC(C(CCCCCCCCCCCCCCCCCCCC1C(CCCCCCCCCCCCCC[C@@H](O)[C@H](C(=O)OCC(O)CO)CCCCCCCCCCCCCCCCCCCCCCCC)C1)OC)C)CCCCCCCCCCCCCCCC</smiles> <smiles>C(CC(C(CCCCCCCCCCCCCCCCCCCC1C(CCCCCCCCCCCCCC[C@@H](O)[C@H](C(=O)OCC(O)CO)CCCCCCCCCCCCCCCCCCCCCCCC)C1)OC)C)CCCCCCCCCCCCCCCC</smiles> is A mycolate ester formed by esterification of (2R)-2-{(1R)-1-hydroxy-15-[2-(20-methoxy-21-methylnonatriacontyl)cyclopropyl]pentadecyl}hexacosanoic acid with the 1-OH of glycerol. It has the role of antigen . Its functional parent is glycerol . Its functional parent is (2R)-2-{(1R)-1-hydroxy-15-[2-(20-methoxy-21-methylnonatriacontyl)cyclopropyl]pentadecyl}hexacosanoic acid . It is also related to or classified as mycolate ester .


The molecule <smiles>O1[C@@H]([C@H]([C@@H]([C@H]([C@H]1OC=2C=CC(=CC2)[N+]([O-])=O)NC(=O)C)O)O)CO</smiles> <smiles>O1[C@@H]([C@H]([C@@H]([C@H]([C@H]1OC=2C=CC(=CC2)[N+]([O-])=O)NC(=O)C)O)O)CO</smiles> is an N-acetyl-alpha-D-glucosaminide in which the anomeric hydroxy hydrogen is replaced by a 4-nitrophenyl group. It has the role of chromogenic compound . Its functional parent is 4-nitrophenol . It is also related to or classified as N-acetyl-alpha-D-glucosaminide  . It is also related to or classified as C-nitro compound .


The molecule <smiles>C(=O)([C@H](C)N)NC=1C=CC2=C(C1)C=CC=C2</smiles> <smiles>C(=O)([C@H](C)N)NC=1C=CC2=C(C1)C=CC=C2</smiles> is an L-alanine derivative that is the amide obtained by formal condensation of the carboxy group of L-alanine with the amino group of 2-naphthylamine. It has the role of chromogenic compound .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , L-alanine derivative .


The molecule <smiles>O=C(NC=1C=CC2=C(C1)C=CC=C2)[C@@H](N)CCCNC(=N)N</smiles> <smiles>O=C(NC=1C=CC2=C(C1)C=CC=C2)[C@@H](N)CCCNC(=N)N</smiles> is an L-arginine derivative that is the amide obtained by formal condensation of the carboxy group of L-arginine with the amino group of 2-naphthylamine. It has the role of chromogenic compound .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , L-arginine derivative .


The molecule <smiles>OC(=O)C#CC=1C=CC=CC1</smiles> <smiles>OC(=O)C#CC=1C=CC=CC1</smiles> is an acetylenic compound that is propynoic acid in which the acetylenic hydrogen is replaced by a phenyl group. Its functional parent is propynoic acid .  It is also related to or classified as acetylenic compound  . It is also related to or classified as benzenes , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>O([C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)COC(=O)CCCCCCCCCCCCCCC)O)O)O)OC(CCCCCCCCCCCCCCC)=O)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)P(=O)(O)OC[C@@H](COC(CCCCCCCC[C@H](CCCCCCCC)C)=O)OC(CCCCCCCCCCCCCCC)=O</smiles> <smiles>O([C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)COC(=O)CCCCCCCCCCCCCCC)O)O)O)OC(CCCCCCCCCCCCCCC)=O)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)P(=O)(O)OC[C@@H](COC(CCCCCCCC[C@H](CCCCCCCC)C)=O)OC(CCCCCCCCCCCCCCC)=O</smiles> is A phosphatidylinositol mannoside having on a myo-inositol ring a phosphatidyl moiety (carrying palmitoyl and 10-methyloctadecanoyl groups) at the 1-position, an alpha-D-mannosyl residue at the 2-position, a palmitoyl group at the 5-position and a 6-O-palmitoyl-alpha-D-mannosyl group at the 6-position. It has the role of allergen . It has the role of bacterial metabolite . It is a conjugate acid of 2-O-alpha-D-mannosyl-1-O-{1-O-[(10S)-10-methyloctadecanoyl]-2-O-palmitoyl-sn-glycero-3-phosphonato}-5-O-palmitoyl-6-O-(6-O-palmitoyl-alpha-D-mannosyl)-1D-myo-inositol . It is also related to or classified as phosphatidylinositol mannoside .


The molecule <smiles>O([C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)COC(=O)CCCCCCCCCCCCCCC)O)O)O)OC(CCCCCCCCCCCCCCC)=O)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)P(=O)([O-])OC[C@@H](COC(CCCCCCCC[C@H](CCCCCCCC)C)=O)OC(CCCCCCCCCCCCCCC)=O</smiles> <smiles>O([C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)COC(=O)CCCCCCCCCCCCCCC)O)O)O)OC(CCCCCCCCCCCCCCC)=O)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)P(=O)([O-])OC[C@@H](COC(CCCCCCCC[C@H](CCCCCCCC)C)=O)OC(CCCCCCCCCCCCCCC)=O</smiles> is an anionic phospholipid that is the conjugate base of 2-O-alpha-D-mannosyl-1-O-{1-O-[(10S)-10-methyloctadecanoyl]-2-O-palmitoyl-sn-glycero-3-phosphono}-5-O-palmitoyl-6-O-(6-O-palmitoyl-alpha-D-mannosyl)-1D-myo-inositol, obtained by deprotonation of the phosphate group. It has the role of allergen . It has the role of bacterial metabolite . It is also related to or classified as anionic phospholipid .


The molecule <smiles>[C@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)OS(=O)(=O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)OC(/C(=C/[C@H](C[C@H](C[C@H](CCCCCCCCCCCCCCCCCCCCCC)C)C)C)/C)=O)OC(CCCCCCCCCCCCCCC)=O</smiles> <smiles>[C@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)OS(=O)(=O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)OC(/C(=C/[C@H](C[C@H](C[C@H](CCCCCCCCCCCCCCCCCCCCCC)C)C)C)/C)=O)OC(CCCCCCCCCCCCCCC)=O</smiles> is A sulfoglycolipid in which alpha,alpha-trehalose, sulfated at the 2'-position, is acylated at the 2-position with palmitic acid, and at the 3-position with (2S,4S,6S,8S)-2,4,6,8-tetramethyltriacontanoic acid. It has the role of allergen . Its functional parent is alpha,alpha-trehalose . It is also related to or classified as sulfoglycolipid , polyacyl alpha,alpha-trehalose derivative .


The molecule <smiles>O=C(NC=1C=CC2=C(C1)C=CC=C2)[C@@H](N)CC(N)=O</smiles> <smiles>O=C(NC=1C=CC2=C(C1)C=CC=C2)[C@@H](N)CC(N)=O</smiles> is an L-asparagine derivative that is the amide obtained by formal condensation of the carboxy group of L-asparagine with the amino group of 2-naphthylamine. It has the role of chromogenic compound .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , L-asparagine derivative .


The molecule <smiles>N1C2=C(C3=C1C(CCC3)C(=O)N)C=C(C=C2)Cl</smiles> <smiles>N1C2=C(C3=C1C(CCC3)C(=O)N)C=C(C=C2)Cl</smiles> is A member of the class of carbazoles that is 2,3,4,9-tetrahydro-1H-carbazole  which is substituted at position 1 by an aminocarbohyl group and at position 6 by a chlorine. It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as organochlorine compound  . It is also related to or classified as carbazoles .


The molecule <smiles>O(C[C@@H](OC(CCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCC)[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO</smiles> <smiles>O(C[C@@H](OC(CCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCC)[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO</smiles> is A beta-D-galactopyranosyl diglyceride that consists of 2,3-diacyl-sn-glycerol having dodecanoyl as the acyl groups and the beta-D-galactopyranosyl residue attached at position 1. It is also related to or classified as beta-D-galactopyranosyl diglyceride  .


The molecule <smiles>C([C@H](CC1=CC=C(C=C1)O)NS(O)(=O)=O)(O)=O</smiles> <smiles>C([C@H](CC1=CC=C(C=C1)O)NS(O)(=O)=O)(O)=O</smiles> is an N-acyl-L-tyrosine obtained by replaceing one of the amino hydrogens with a sulfo group. Its functional parent is sulfamic acid . It is also related to or classified as N-acyl-L-tyrosine .


The molecule <smiles>N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)CC1=CC=CC=C1</smiles> <smiles>N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)CC1=CC=CC=C1</smiles> is A dipeptide obtained by formal condensation of the carboxy group of L-phenylalanine with the amino group of L-glutamine. It is also related to or classified as dipeptide  .


The molecule <smiles>[C@H]1([C@H]([C@H](CC1=O)OCC2=CC=C(C=C2)C=3C=CC=CC3)CC/C=C\CCC([O-])=O)N4CCOCC4</smiles> <smiles>[C@H]1([C@H]([C@H](CC1=O)OCC2=CC=C(C=C2)C=3C=CC=CC3)CC/C=C\CCC([O-])=O)N4CCOCC4</smiles> is an oxo monocarboxylic acid anion obtained by deprotonation of the carboxy group of (1R,2R,5S)-AH23848. It is also related to or classified as oxo monocarboxylic acid anion .


The molecule <smiles>[C@@H]1([C@@H]([C@@H](CC1=O)OCC2=CC=C(C=C2)C=3C=CC=CC3)CC/C=C\CCC([O-])=O)N4CCOCC4</smiles> <smiles>[C@@H]1([C@@H]([C@@H](CC1=O)OCC2=CC=C(C=C2)C=3C=CC=CC3)CC/C=C\CCC([O-])=O)N4CCOCC4</smiles> is an oxo monocarboxylic acid anion obtained by deprotonation of the carboxy group of (1S,2S,5R)-AH23848. It is also related to or classified as oxo monocarboxylic acid anion .


The molecule <smiles>[C@@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]%10[C@@H]([C@H]([C@@H]([C@H](O%10)CO)O[C@H]%11[C@@H]([C@H]([C@H]([C@H](O%11)CO)O)O[C@H]%12[C@@H]([C@H]([C@@H]([C@H](O%12)CO)O[C@H]%13[C@@H]([C@H]([C@H]([C@H](O%13)CO)O)O[C@H]%14[C@@H]([C@H]([C@@H]([C@H](O%14)CO)O[C@H]%15[C@@H]([C@H]([C@H]([C@H](O%15)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O[C@H]%16[C@@H]([C@H]([C@@H](O[C@@H]%16CO)O[C@H]%17[C@@H]([C@H](C(O[C@@H]%17CO[C@H]%18[C@H]([C@@H]([C@@H]([C@@H](O%18)C)O)O)O)O)NC(C)=O)O)NC(C)=O)O</smiles> <smiles>[C@@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]%10[C@@H]([C@H]([C@@H]([C@H](O%10)CO)O[C@H]%11[C@@H]([C@H]([C@H]([C@H](O%11)CO)O)O[C@H]%12[C@@H]([C@H]([C@@H]([C@H](O%12)CO)O[C@H]%13[C@@H]([C@H]([C@H]([C@H](O%13)CO)O)O[C@H]%14[C@@H]([C@H]([C@@H]([C@H](O%14)CO)O[C@H]%15[C@@H]([C@H]([C@H]([C@H](O%15)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O[C@H]%16[C@@H]([C@H]([C@@H](O[C@@H]%16CO)O[C@H]%17[C@@H]([C@H](C(O[C@@H]%17CO[C@H]%18[C@H]([C@@H]([C@@H]([C@@H](O%18)C)O)O)O)O)NC(C)=O)O)NC(C)=O)O</smiles> is A branched amino oligosaccharide that is an octadecasaccharide derivative consisting of a linear trisaccharide of beta-D-mannose and two N-acetyl-beta-D-glucosamine residues all linked in sequence (1->4), to the mannosyl residue of which are linked two beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl linear heptasaccharide units [linked (1->3) and (1->6)], while to the N-acetyl-beta-D-glucosamine residue at the reducing end is linked (1->6) an alpha-L-fucose residue. It is also related to or classified as glucosamine oligosaccharide , amino oligosaccharide .


The molecule <smiles>O([C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)COC(=O)CCCCCCCCCCCCCCC)O)O)O)OC(CCCCCCCCCCCCCCC)=O)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)P(=O)([O-])OC[C@@H](COC(CCCCCCCC[C@H](CCCCCCCC)C)=O)OC(CCCCCCCCCCCCCCC)=O.[Na+]</smiles> <smiles>O([C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)COC(=O)CCCCCCCCCCCCCCC)O)O)O)OC(CCCCCCCCCCCCCCC)=O)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)P(=O)([O-])OC[C@@H](COC(CCCCCCCC[C@H](CCCCCCCC)C)=O)OC(CCCCCCCCCCCCCCC)=O.[Na+]</smiles> is an organic sodium salt that is the monosodium salt of 2-O-alpha-D-mannosyl-1-O-{1-O-[(10S)-10-methyloctadecanoyl]-2-O-palmitoyl-sn-glycero-3-phosphono}-5-O-palmitoyl-6-O-(6-O-palmitoyl-alpha-D-mannosyl)-1D-myo-inositol. It is also related to or classified as organic sodium salt .


The molecule <smiles>[C@@H]1([C@@H]([C@@H](CC1=O)OCC2=CC=C(C=C2)C=3C=CC=CC3)CC/C=C\CCC(O)=O)N4CCOCC4</smiles> <smiles>[C@@H]1([C@@H]([C@@H](CC1=O)OCC2=CC=C(C=C2)C=3C=CC=CC3)CC/C=C\CCC(O)=O)N4CCOCC4</smiles> is A (4Z)-7-{5-[([1,1'-biphenyl]-4-yl)methoxy]-2-(morpholin-4-yl)-3-oxocyclopentyl}hept-4-enoic acid in which the stereocentres at positions 1, 2 and 5 have S-, S- and R-configuration respectively. It is a conjugate acid of (1S,2S,5R)-AH23848(1-) . It is also related to or classified as (4Z)-7-{5-[([1,1'-biphenyl]-4-yl)methoxy]-2-(morpholin-4-yl)-3-oxocyclopentyl}hept-4-enoic acid  .


The molecule <smiles>C1(C(C(CC1=O)OCC2=CC=C(C=C2)C=3C=CC=CC3)CC/C=C\CCC(O)=O)N4CCOCC4</smiles> <smiles>C1(C(C(CC1=O)OCC2=CC=C(C=C2)C=3C=CC=CC3)CC/C=C\CCC(O)=O)N4CCOCC4</smiles> is A member of the class of cyclopentanones that is (4Z)-7-(3-oxocyclopentyl)hept-4-enoic acid in which the cyclopentenone ring is substituted at positions 2 and 5 by morpholin-4-yl and (1,1'-biphenyl-4-yl)methoxy groups respectively.  It is also related to or classified as ether  . It is also related to or classified as biphenyls , oxo monocarboxylic acid , cyclopentanones , morpholines , olefinic compound .


The molecule <smiles>C1(C2=NC3=C(S2)C(=C(C=C3)C)S([O-])(=O)=O)=CC=4SC(C=5C=CC(=CC5)N)=NC4C=C1.[Na+]</smiles> <smiles>C1(C2=NC3=C(S2)C(=C(C=C3)C)S([O-])(=O)=O)=CC=4SC(C=5C=CC(=CC5)N)=NC4C=C1.[Na+]</smiles> is an organic sodium salt having 2'-(4-aminophenyl)-6-methyl[2,6'-bi-1,3-benzothiazole]-7-sulfonate as the counterion. It has the role of fluorochrome . It has the role of histological dye . It is also related to or classified as organic sodium salt , organosulfonate salt .


The molecule <smiles>C1(C2=NC3=C(S2)C(=C(C=C3)C)S([O-])(=O)=O)=CC=4SC(C=5C=CC(=CC5)N)=NC4C=C1</smiles> <smiles>C1(C2=NC3=C(S2)C(=C(C=C3)C)S([O-])(=O)=O)=CC=4SC(C=5C=CC(=CC5)N)=NC4C=C1</smiles> is an organosulfonate oxoanion obtained by deprotonation of the sulfo group of 2'-(4-aminophenyl)-6-methyl[2,6'-bi-1,3-benzothiazole]-7-sulfonic acid. It is also related to or classified as organosulfonate oxoanion  .


The molecule <smiles>CCCCC1N(C)CN([C@H]2[C@H](Oc3ccc(cc3)\C=C/NC(=O)[C@@H](NC2=O)C(C)C)c2ccccc2)C1=O</smiles> <smiles>CCCCC1N(C)CN([C@H]2[C@H](Oc3ccc(cc3)\C=C/NC(=O)[C@@H](NC2=O)C(C)C)c2ccccc2)C1=O</smiles> is Sativanine B. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2CO)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@@H]3O)CO)O[C@H]4[C@@H]([C@H]([C@@H](O[C@@H]4CO)OC[C@H]5O[C@@H]([C@@H]([C@H]([C@H]5O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)O)NC(C)=O)O)O)NC(C)=O)NC(=O)C)O)NC(C)=O)O)O)NC(C)=O)O</smiles> <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2CO)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@@H]3O)CO)O[C@H]4[C@@H]([C@H]([C@@H](O[C@@H]4CO)OC[C@H]5O[C@@H]([C@@H]([C@H]([C@H]5O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)O)NC(C)=O)O)O)NC(C)=O)NC(=O)C)O)NC(C)=O)O)O)NC(C)=O)O</smiles> is A branched amino nonasaccharide consisting of an alpha-D-galactosamine residue to which are attached (1->3) and (1->6) two beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl tetrasaccharide branches. It is also related to or classified as galactosamine oligosaccharide , glucosamine oligosaccharide , amino nonasaccharide .


The molecule <smiles>[Cl-].C1=CC2=C(OC=3C(C=CC(C3)=[N+](CC)CC)=C2)C=C1N(CC)CC</smiles> <smiles>[Cl-].C1=CC2=C(OC=3C(C=CC(C3)=[N+](CC)CC)=C2)C=C1N(CC)CC</smiles> is an organic chloride salt having 6-(diethylamino)-N,N-diethyl-3H-xanthen-3-iminium as the cation. Depending on the mode of manufacture, pyronin B also exists in the form of an FeCl3 complex. It has the role of histological dye . It is also related to or classified as iminium salt , organic chloride salt .


The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2CO)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@@H]3O)CO)O[C@H]4[C@@H]([C@H]([C@@H](O[C@@H]4CO)O[C@@H]5[C@H]([C@H](O[C@@H]([C@@H]5O)CO)O)NC(C)=O)NC(C)=O)O)O)NC(C)=O)O</smiles> <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2CO)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@@H]3O)CO)O[C@H]4[C@@H]([C@H]([C@@H](O[C@@H]4CO)O[C@@H]5[C@H]([C@H](O[C@@H]([C@@H]5O)CO)O)NC(C)=O)NC(C)=O)O)O)NC(C)=O)O</smiles> is A linear amino pentasaccharide comprising a (1->4), (1->3), (1->4), (1->3) sequence of beta-D-galactose, N-acetyl-beta-D-glucosamine, beta-D-galactose, N-acetyl-beta-D-glucosamine and (at the reducing end) N-acetyl-alpha-D-galactosamine. It is also related to or classified as galactosamine oligosaccharide , glucosamine oligosaccharide , amino pentasaccharide .


The molecule <smiles>[C@H]1([C@H]([C@H](CC1=O)OCC2=CC=C(C=C2)C=3C=CC=CC3)CC/C=C\CCC(O)=O)N4CCOCC4</smiles> <smiles>[C@H]1([C@H]([C@H](CC1=O)OCC2=CC=C(C=C2)C=3C=CC=CC3)CC/C=C\CCC(O)=O)N4CCOCC4</smiles> is A (4Z)-7-{5-[([1,1'-biphenyl]-4-yl)methoxy]-2-(morpholin-4-yl)-3-oxocyclopentyl}hept-4-enoic acid in which the stereocentres at positions 1, 2 and 5 have R-, R- and S-configuration respectively. It is a conjugate acid of (1R,2R,5S)-AH23848(1-) . It is also related to or classified as (4Z)-7-{5-[([1,1'-biphenyl]-4-yl)methoxy]-2-(morpholin-4-yl)-3-oxocyclopentyl}hept-4-enoic acid  .


The molecule <smiles>C([C@@H](CC1=CC=CC=C1)NC(=O)C=2C=CC=CC2)(=O)O</smiles> <smiles>C([C@@H](CC1=CC=CC=C1)NC(=O)C=2C=CC=CC2)(=O)O</smiles> is A D-phenylalanine derivative that is D-phenylalanine in which one of the hydrogens of the amino group has been replaced by a benzoyl group. It has the role of hypoglycemic agent . It has the role of insulin secretagogue .  It is also related to or classified as 2-(benzoylamino)-3-phenylpropanoic acid  . It is also related to or classified as D-phenylalanine derivative .