senecionine

Properties Image MNX_ID MNXM3358 reference chebi:77617 formula C18H26NO5 global charge 1 mol weight 336.408 InChIKey HKODIGSRFALUTA-JTLQZVBZSA-O InChI InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/p+1/b12-4-/t11-,14-,15-,18-/m1/s1 SMILES C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[NH+]3CC[C@@H](OC1=O)[C@@H]23 MNX internals InChI (mnx) InChI=1/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-/m1/s1 SMILES (mnx) [CH3:1]/[CH:4]=[C:12]1/[CH2:9][C@@H:11]([CH3:2])[C@@:18]([CH3:3])([OH:22])[C:17](=[O:21])[O:23][CH2:10][C:13]2=[CH:5][CH2:7][N:19]3[CH2:8][CH2:6][C@H:14]([C@@H:15]23)[O:24][C:16]1=[O:20]

Parent-child relations graph

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