mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <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 is A C-glycosyl compound that is 1,3-thiazole-4-carboxamide in which the hydrogen at position 2 has been replaced by a beta-D-ribofuranosyl group.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> is A pyranoindolizinoquinoline that is camptothecin in which the hydrogen at position 9 has been replaced by a nitro group.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> 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of the molecule has been redced to the corresponding piperidine, and in which the ethyl group attached to this ring has been replaced by a 1,1-difluoroethyl group.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> 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> 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> 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> 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> 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>[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[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)O)O)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O[C@@H]%13[C@H]([C@H]([C@@H]([C@H](O%13)CO)O)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[C@H]%16[C@@H]([C@H]([C@@H]([C@H](O%16)CO)O[C@H]%17[C@@H]([C@H]([C@H]([C@H](O%17)CO)O)O[C@H]%18[C@@H]([C@H]([C@@H]([C@H](O%18)CO)O[C@H]%19[C@@H]([C@H]([C@H]([C@H](O%19)CO)O)O[C@H]%20[C@@H]([C@H]([C@@H]([C@H](O%20)CO)O[C@H]%21[C@@H]([C@H]([C@H]([C@H](O%21)CO)O)O[C@H]%22[C@@H]([C@H]([C@@H]([C@H](O%22)CO)O[C@H]%23[C@@H]([C@H]([C@H]([C@H](O%23)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O[C@H]%24[C@@H]([C@H]([C@@H](O[C@@H]%24CO)O[C@H]%25[C@@H]([C@H]([C@@H](O[C@@H]%25CO)O)NC(C)=O)O)NC(C)=O)O</smiles> is A branched amino oligosaccharide that is a pentacosasaccharide 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->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 undecasaccharide units. It is also related to or classified as glucosamine oligosaccharide, amino oligosaccharide.
The molecule <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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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 .