vellosimine

Properties Image MNX_ID MNXM1371242 reference chebi:18057 formula C19H20N2O global charge 0 mol weight 292.382 InChIKey MHASSCPGKAMILD-VICVVEARSA-N InChI InChI=1S/C19H20N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,10,13,15,17-18,20H,7-9H2,1H3/b11-2-/t13-,15+,17-,18-/m0/s1 SMILES C/C=C1/CN2C3CC4=C(NC5=CC=CC=C54)[C@@H]2C[C@@H]1[C@H]3C=O MNX internals InChI (mnx) InChI=1/C19H20N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,10,13,15,17-18,20H,7-9H2,1H3/b11-2-/t13-,15+,17-,18-/m0/s1 SMILES (mnx) [CH3:1]/[CH:2]=[C:11]1/[CH2:9][N:21]2[C@H:17]3[CH2:8][C:14]4=[C:19]([C@@H:18]2[CH2:7][C@@H:13]1[C@H:15]3[CH:10]=[O:22])[NH:20][C:16]1=[CH:6][CH:4]=[CH:3][CH:5]=[C:12]41

Parent-child relations graph

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