ritalinic acid

Properties Image MNX_ID MNXM130329 reference chebi:83481 formula C13H17NO2 global charge 0 mol weight 219.284 InChIKey INGSNVSERUZOAK-UHFFFAOYSA-N InChI InChI=1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16) SMILES O=C(O)C(C1=CC=CC=C1)C1CCCCN1 MNX internals InChI (mnx) InChI=1/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)/t11?,12? SMILES (mnx) [CH:1]1=[CH:2][CH:6]=[C:10]([CH:12]([CH:11]2[CH2:8][CH2:4][CH2:5][CH2:9][NH:14]2)[C:13](=[O:15])[OH:16])[CH:7]=[CH:3]1

Parent-child relations graph

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