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protoviolaceinate

Properties Image MNX_ID MNXM97338 reference chebi:90898 formula C21H14N3O3 global charge -1 mol weight 356.361 InChIKey HNIIMOJBRIPGHJ-UHFFFAOYSA-M InChI InChI=1S/C21H15N3O3/c25-11-5-6-18-13(7-11)16(10-23-18)19-8-14(20(24-19)21(26)27)15-9-22-17-4-2-1-3-12(15)17/h1-10,22-25H,(H,26,27)/p-1 SMILES O=C([O-])c1[nH]c(-c2c[nH]c3ccc(O)cc23)cc1-c1c[nH]c2ccccc12 MNX internals InChI (mnx) InChI=1/C21H15N3O3/c25-11-5-6-18-13(7-11)16(10-23-18)19-8-14(20(24-19)21(26)27)15-9-22-17-4-2-1-3-12(15)17/h1-10,22-25H,(H,26,27) SMILES (mnx) [CH2:1]1[C:2]([C:13]2=[CH:10][CH2:9][c:11]3[c:12]2[cH:15][c:16]([CH3:18])[cH:17][cH:14]3)=[CH:4][C:5]([N:23]2=[CH:20][CH2:19][C:21]3=[N:22]2[O:25]=[O:26][O:27]=[N:24]3)=[C:3]1[C:6](=[CH2:7])[CH3:8]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 9 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
CHEBI:90898 chebi:90898 HNIIMOJBRIPGHJ-UHFFFAOYSA-M	protoviolaceinate 5-(5-hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate
kegg.compound:C21134 keggC:C21134 HNIIMOJBRIPGHJ-UHFFFAOYSA-N	Protoviolaceinic acid Protoviolaceinate
metacyc.compound:CPD-14319 metacycM:CPD-14319 seed.compound:cpd24292 seedM:cpd24292 HNIIMOJBRIPGHJ-UHFFFAOYSA-M	protoviolaceinate protoviolaceinic acid
CHEBI:90897 chebi:90897 HNIIMOJBRIPGHJ-UHFFFAOYSA-N	protoviolaceinic acid 5-(5-hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid
keggC:M_C21134 seedM:M_cpd24292	secondary/obsolete/fantasy identifier