Schizanthine O

Properties Image MNX_ID MNXM108732 reference chebi:70107 formula C18H27NO5 global charge 0 mol weight 337.416 InChIKey IIIIUNUEKKQHPF-ASOCZDCUSA-N InChI InChI=1S/C18H27NO5/c1-11(2)5-17(21)24-16-8-13-7-14(9-15(16)19(13)4)23-18(22)6-12(3)10-20/h5-6,13-16,20H,7-10H2,1-4H3/b12-6+/t13-,14+,15+,16+/m0/s1 SMILES CC(C)=CC(=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/c1-11(2)5-17(21)24-16-8-13-7-14(9-15(16)19(13)4)23-18(22)6-12(3)10-20/h5-6,13-16,20H,7-10H2,1-4H3/b12-6+/t13-,14+,15+,16+/m0/s1 SMILES (mnx) [CH3:1][C:11]([CH3:2])=[CH:5][C:17](=[O:21])[O:24][C@@H:16]1[CH2:8][C@@H:13]2[CH2:7][C@@H:14]([O:23][C:18](/[CH:6]=[C:12](\[CH3:3])[CH2:10][OH:20])=[O:22])[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