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=C(C2=C(O)NC3=C2C=CC=C3)C=C(C2=CNC3=C2C=C(O)C=C3)N1 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) [CH:1]1=[CH:2][CH:4]=[C:16]2[C:11](=[CH:3]1)[C:18]([C:13]1=[C:19]([C:21]([OH:27])=[O:28])[NH:23][C:17]([C:14]3=[CH:9][NH:22][C:15]4=[C:12]3[CH:7]=[C:10]([OH:25])[CH:5]=[CH:6]4)=[CH:8]1)=[C:20]([OH:26])[NH:24]2

Parent-child relations graph

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