proviolacein

Properties Image MNX_ID MNXM98919 reference chebi:131916 formula C20H13N3O2 global charge 0 mol weight 327.343 InChIKey AEUPUFUMWGIQGG-UHFFFAOYSA-N InChI InChI=1S/C20H13N3O2/c24-11-5-6-18-13(7-11)16(10-22-18)19-8-14(20(25)23-19)15-9-21-17-4-2-1-3-12(15)17/h1-10,21-22,24H SMILES O=C1N=C(C2=CNC3=C2C=C(O)C=C3)C=C1C1=CNC2=C1C=CC=C2 MNX internals InChI (mnx) InChI=1/C20H13N3O2/c24-11-5-6-18-13(7-11)16(10-22-18)19-8-14(20(25)23-19)15-9-21-17-4-2-1-3-12(15)17/h1-10,21-22,24H SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:17]2[C:12](=[CH:3]1)[C:15]([C:14]1=[CH:8][C:19]([C:16]3=[CH:10][NH:22][C:18]4=[C:13]3[CH:7]=[C:11]([OH:24])[CH:5]=[CH:6]4)=[N:23][C:20]1=[O:25])=[CH:9][NH:21]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0