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=C(C2=CNC3=C2C=CC=C3)C=C(C2=CNC3=C2C=C(O)C=C3)N1 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) [CH:1]1=[CH:2][CH:4]=[C:17]2[C:12](=[CH:3]1)[C:15]([C:14]1=[C:20]([C:21]([OH:26])=[O:27])[NH:24][C:19]([C:16]3=[CH:10][NH:23][C:18]4=[C:13]3[CH:7]=[C:11]([OH:25])[CH:5]=[CH:6]4)=[CH:8]1)=[CH:9][NH:22]2

Parent-child relations graph

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