Apohyoscine

Properties Image MNX_ID MNXM42428 reference chebi:2785 formula C17H19NO3 global charge 0 mol weight 285.343 InChIKey JJNVDCBKBUSUII-UJIFDXPISA-N InChI InChI=1S/C17H19NO3/c1-10(11-6-4-3-5-7-11)17(19)20-12-8-13-15-16(21-15)14(9-12)18(13)2/h3-7,12-16H,1,8-9H2,2H3/t12-,13?,14?,15-,16+ SMILES C=C(C(=O)O[C@@H]1CC2[C@H]3O[C@H]3C(C1)N2C)C1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C17H19NO3/c1-10(11-6-4-3-5-7-11)17(19)20-12-8-13-15-16(21-15)14(9-12)18(13)2/h3-7,12-16H,1,8-9H2,2H3/t12-,13?,14?,15-,16+ SMILES (mnx) [CH2:1]=[C:10]([C:11]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)[C:17](=[O:19])[O:20][C@H:12]1[CH2:8][CH:13]2[C@H:15]3[C@@H:16]([CH:14]([CH2:9]1)[N:18]2[CH3:2])[O:21]3

Parent-child relations graph

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