anonymous041/ChEBI-Augmented huggingface dataset:
The molecule 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] 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] 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 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 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 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 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 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 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 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 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 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 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 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 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 O1[C@@H](C=2C(=C(NN2)C(N)=O)O)[C@H](O)[C@H](O)[C@H]1CO O1[C@@H](C=2C(=C(NN2)C(N)=O)O)[C@H](O)[C@H](O)[C@H]1CO 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 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 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 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 N(CCCNCC)CCCCNCCCNCC N(CCCNCC)CCCCNCCCNCC 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 OCC1=CC(=O)C2=C(C)CC[C@]3([C@H](C)C(=O)O[C@@]3([C@@]12[H])[H])[H] OCC1=CC(=O)C2=C(C)CC[C@]3([C@H](C)C(=O)O[C@@]3([C@@]12[H])[H])[H] 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 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] 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] 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 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 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 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 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+] 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+] 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 C(CC)S(NC1=CC=C(C(=C1F)C(C=2C3=C(N=CC(=C3)Cl)NC2)=O)F)(=O)=O C(CC)S(NC1=CC=C(C(=C1F)C(C=2C3=C(N=CC(=C3)Cl)NC2)=O)F)(=O)=O 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 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 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 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 C=12C=C(C(=C(C1N=C3C(O2)=CC(C=C3C)=O)C)C=4C(=CC(=CC4C)O)O)O C=12C=C(C(=C(C1N=C3C(O2)=CC(C=C3C)=O)C)C=4C(=CC(=CC4C)O)O)O 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 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 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 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 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 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 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 C1(=CC=CC(=C1)NC2=NC(=NC=C2C)NC3=CC=C(C=C3)N4CCN(CC4)C)S(NC(C)(C)C)(=O)=O C1(=CC=CC(=C1)NC2=NC(=NC=C2C)NC3=CC=C(C=C3)N4CCN(CC4)C)S(NC(C)(C)C)(=O)=O 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 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 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 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 [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+] [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+] 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 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 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 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 C(=O)(O)CCC1=CC=C(C=C1)[N+]([O-])=O C(=O)(O)CCC1=CC=C(C=C1)[N+]([O-])=O 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 C=12C=C(C(=C(C1N=C3C(O2)=CC(C=C3C)=O)C)C=4C(=CC(=CC4C)O)O)N C=12C=C(C(=C(C1N=C3C(O2)=CC(C=C3C)=O)C)C=4C(=CC(=CC4C)O)O)N 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 N([C@H](C(O)=O)[C@@H](C)CC)C([C@@H](N)CO)=O N([C@H](C(O)=O)[C@@H](C)CC)C([C@@H](N)CO)=O 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 C(CC(C(CCCCCCCCCCCCCCCCCCCC1C(CCCCCCCCCCCCCC[C@@H](O)[C@H](C(=O)O)CCCCCCCCCCCCCCCCCCCCCCCC)C1)OC)C)CCCCCCCCCCCCCCCC C(CC(C(CCCCCCCCCCCCCCCCCCCC1C(CCCCCCCCCCCCCC[C@@H](O)[C@H](C(=O)O)CCCCCCCCCCCCCCCCCCCCCCCC)C1)OC)C)CCCCCCCCCCCCCCCC 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 O1[C@@H]([C@H]([C@@H]([C@H]([C@H]1OC=2C(=CC=CC2)[N+]([O-])=O)NC(=O)C)O)O)CO O1[C@@H]([C@H]([C@@H]([C@H]([C@H]1OC=2C(=CC=CC2)[N+]([O-])=O)NC(=O)C)O)O)CO 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 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 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 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 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 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 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 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 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 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 C(=O)([C@@H](N)C(C)C)N[C@H](C(=O)O)[C@@H](C)O C(=O)([C@@H](N)C(C)C)N[C@H](C(=O)O)[C@@H](C)O 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 O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC=2C=3C(C=CC2)=CC=CC3)NC(=O)C)O)O)CO O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC=2C=3C(C=CC2)=CC=CC3)NC(=O)C)O)O)CO 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 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] 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] 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 C=1C=CC2=C(C1)C=C(N2)/C=C/C(=O)O C=1C=CC2=C(C1)C=C(N2)/C=C/C(=O)O 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 O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC=2C(=CC=CC2)[N+]([O-])=O)NC(=O)C)O)O)CO O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC=2C(=CC=CC2)[N+]([O-])=O)NC(=O)C)O)O)CO 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 .