dichotomine E

Properties Image MNX_ID MNXM104516 reference chebi:70223 formula C12H8N2O3 global charge 0 mol weight 228.207 InChIKey BQURACGVTWIJNT-UHFFFAOYSA-N InChI InChI=1S/C12H8N2O3/c15-11-10-7(5-9(14-11)12(16)17)6-3-1-2-4-8(6)13-10/h1-5,13H,(H,14,15)(H,16,17) SMILES O=C(O)C1=CC2=C(NC3=CC=CC=C32)C(O)=N1 MNX internals InChI (mnx) InChI=1/C12H8N2O3/c15-11-10-7(5-9(14-11)12(16)17)6-3-1-2-4-8(6)13-10/h1-5,13H,(H,14,15)(H,16,17) SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:8]2[C:6](=[CH:3]1)[C:7]1=[CH:5][C:9]([C:12]([OH:16])=[O:17])=[N:14][C:11]([OH:15])=[C:10]1[NH:13]2

Parent-child relations graph

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