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violaceinate

Properties Image MNX_ID MNXM97621 reference chebi:90900 formula C21H14N3O4 global charge -1 mol weight 372.36 InChIKey AVEFAUDTSHGJQO-UHFFFAOYSA-M InChI InChI=1S/C21H15N3O4/c25-10-5-6-15-12(7-10)14(9-22-15)17-8-13(19(23-17)21(27)28)18-11-3-1-2-4-16(11)24-20(18)26/h1-9,22-26H,(H,27,28)/p-1 SMILES O=C([O-])c1[nH]c(-c2c[nH]c3ccc(O)cc23)cc1-c1c(O)[nH]c2ccccc12 MNX internals InChI (mnx) InChI=1/C21H15N3O4/c25-10-5-6-15-12(7-10)14(9-22-15)17-8-13(19(23-17)21(27)28)18-11-3-1-2-4-16(11)24-20(18)26/h1-9,22-26H,(H,27,28) SMILES (mnx) [CH3:1][C:18]1=[C:10]([C:8]2=[C:13]([N:24](=[CH2:2])[CH3:3])[CH2:5][C:9]([C:11]3=[CH:19][CH2:7][C:17]4=[C:15]3[CH:21]=[O:26]([CH3:4])[O:27]=[N:23]4)=[CH:12]2)[C:14]2=[C:16]([CH2:6]1)[N:22]=[O:28][O:25]=[CH:20]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
CHEBI:90900 chebi:90900 AVEFAUDTSHGJQO-UHFFFAOYSA-M	violaceinate
kegg.compound:C21135 keggC:C21135 AVEFAUDTSHGJQO-UHFFFAOYSA-N	Violaceinic acid Violaceinate
metacyc.compound:CPD-14324 metacycM:CPD-14324 seed.compound:cpd24297 seedM:cpd24297 AVEFAUDTSHGJQO-UHFFFAOYSA-M	violaceinate violaceinic acid
CHEBI:90899 chebi:90899 AVEFAUDTSHGJQO-UHFFFAOYSA-N	violaceinic acid 3-(2-hydroxy-1H-indol-3-yl)-5-(5-hydroxy-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid
keggC:M_C21135 seedM:M_cpd24297	secondary/obsolete/fantasy identifier