deoxyviolacein

Properties Image MNX_ID MNXM98206 reference chebi:131915 formula C20H13N3O2 global charge 0 mol weight 327.343 InChIKey OJUJNNKCVPCATE-QGOAFFKASA-N InChI InChI=1S/C20H13N3O2/c24-19-13(18-12-6-2-4-8-16(12)22-20(18)25)9-17(23-19)14-10-21-15-7-3-1-5-11(14)15/h1-10,21H,(H,22,25)(H,23,24)/b18-13+ SMILES O=C1NC(C2=CNC3=C2C=CC=C3)=C/C1=C1\C(=O)NC2=C1C=CC=C2 MNX internals InChI (mnx) InChI=1/C20H13N3O2/c24-19-13(18-12-6-2-4-8-16(12)22-20(18)25)9-17(23-19)14-10-21-15-7-3-1-5-11(14)15/h1-10,21H,(H,22,25)(H,23,24)/b18-13+ SMILES (mnx) [CH:1]1=[CH:3][CH:7]=[C:15]2[C:11](=[CH:5]1)[C:14]([C:17]1=[CH:9]/[C:13](=[C:18]3/[C:12]4=[CH:6][CH:2]=[CH:4][CH:8]=[C:16]4[N:22]=[C:20]3[OH:25])[C:19]([OH:24])=[N:23]1)=[CH:10][NH:21]2

Parent-child relations graph

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