13-Oxocryptopine

Properties Image MNX_ID MNXM116160 reference chebi:191441 formula C21H21NO6 global charge 0 mol weight 383.4 InChIKey UFCVPEFVGGMGSE-UHFFFAOYSA-N InChI InChI=1S/C21H21NO6/c1-22-7-6-12-8-17(25-2)18(26-3)9-14(12)20(24)19(23)13-4-5-16-21(15(13)10-22)28-11-27-16/h4-5,8-9H,6-7,10-11H2,1-3H3 SMILES COC1=CC2=C(C=C1OC)C(=O)C(=O)C1=CC=C3OCOC3=C1CN(C)CC2 MNX internals InChI (mnx) InChI=1/C21H21NO6/c1-22-7-6-12-8-17(25-2)18(26-3)9-14(12)20(24)19(23)13-4-5-16-21(15(13)10-22)28-11-27-16/h4-5,8-9H,6-7,10-11H2,1-3H3 SMILES (mnx) [CH3:1][N:22]1[CH2:7][CH2:6][C:12]2=[CH:8][C:17]([O:25][CH3:2])=[C:18]([O:26][CH3:3])[CH:9]=[C:14]2[C:20](=[O:24])[C:19](=[O:23])[C:13]2=[C:15]([CH2:10]1)[C:21]1=[C:16]([CH:5]=[CH:4]2)[O:27][CH2:11][O:28]1

Parent-child relations graph

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