Anisodamine

Properties Image MNX_ID MNXM1106052 reference chebi:2735 formula C17H23NO4 global charge 0 mol weight 305.374 InChIKey WTQYWNWRJNXDEG-ABSNHQIMSA-N InChI InChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12?,13-,14-,15?,16-/m0/s1 SMILES CN1C2C[C@H](OC(=O)[C@@H](CO)C3=CC=CC=C3)CC1[C@@H](O)C2 MNX internals InChI (mnx) InChI=1/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12?,13-,14-,15?,16-/m0/s1 SMILES (mnx) [CH3:1][N:18]1[CH:12]2[CH2:7][C@H:13]([O:22][C:17]([C@@H:14]([CH2:10][OH:19])[C:11]3=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]3)=[O:21])[CH2:9][CH:15]1[C@@H:16]([OH:20])[CH2:8]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0