protodeoxyviolaceinate

Properties Image MNX_ID MNXM97268 reference chebi:90907 formula C21H14N3O2 global charge -1 mol weight 340.362 InChIKey SFLGFRJGKHRRID-UHFFFAOYSA-M InChI InChI=1S/C21H15N3O2/c25-21(26)20-14(15-10-22-17-7-3-1-5-12(15)17)9-19(24-20)16-11-23-18-8-4-2-6-13(16)18/h1-11,22-24H,(H,25,26)/p-1 SMILES O=C([O-])C1=C(C2=CNC3=C2C=CC=C3)C=C(C2=CNC3=C2C=CC=C3)N1 MNX internals InChI (mnx) InChI=1/C21H15N3O2/c25-21(26)20-14(15-10-22-17-7-3-1-5-12(15)17)9-19(24-20)16-11-23-18-8-4-2-6-13(16)18/h1-11,22-24H,(H,25,26) SMILES (mnx) [CH:1]1=[CH:3][CH:7]=[C:17]2[C:12](=[CH:5]1)[C:15]([C:14]1=[C:20]([C:21]([OH:25])=[O:26])[NH:24][C:19]([C:16]3=[CH:11][NH:23][C:18]4=[CH:8][CH:4]=[CH:2][CH:6]=[C:13]34)=[CH:9]1)=[CH:10][NH:22]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 16 in models (compartimentalized) 0