Schizanthine N

Properties Image MNX_ID MNXM108731 reference chebi:70106 formula C18H27NO5 global charge 0 mol weight 337.416 InChIKey BQBJPUJMIOEUKT-MJVHBNRGSA-N InChI InChI=1S/C18H27NO5/c1-5-12(3)18(22)24-16-8-13-7-14(9-15(16)19(13)4)23-17(21)6-11(2)10-20/h5-6,13-16,20H,7-10H2,1-4H3/b11-6+,12-5-/t13-,14+,15+,16+/m0/s1 SMILES C/C=C(/C)C(=O)O[C@@H]1C[C@@H]2C[C@@H](OC(=O)/C=C(\C)CO)C[C@H]1N2C MNX internals InChI (mnx) InChI=1/C18H27NO5/c1-5-12(3)18(22)24-16-8-13-7-14(9-15(16)19(13)4)23-17(21)6-11(2)10-20/h5-6,13-16,20H,7-10H2,1-4H3/b11-6+,12-5-/t13-,14+,15+,16+/m0/s1 SMILES (mnx) [CH3:1]/[CH:5]=[C:12](/[CH3:3])[C:18](=[O:22])[O:24][C@@H:16]1[CH2:8][C@@H:13]2[CH2:7][C@@H:14]([O:23][C:17](/[CH:6]=[C:11](\[CH3:2])[CH2:10][OH:20])=[O:21])[CH2:9][C@H:15]1[N:19]2[CH3:4]

Parent-child relations graph

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