compound 0068227

Properties Image MNX_ID MNXM1193310 reference envipathM:...dd519c2af79d formula C16H23NO4 global charge 0 mol weight 293.363 InChIKey TZPUHWBINNMATO-XJKSGUPXSA-N InChI InChI=1S/C16H23NO4/c1-17(2,20)11-13-7-8-14(18)10-16(13,19)12-5-4-6-15(9-12)21-3/h4-6,9,13,19H,7-8,10-11H2,1-3H3/t13-,16+/m0/s1 SMILES COC1=CC([C@]2(O)CC(=O)CC[C@H]2C[N+](C)(C)[O-])=CC=C1 MNX internals InChI (mnx) InChI=1/C16H23NO4/c1-17(2,20)11-13-7-8-14(18)10-16(13,19)12-5-4-6-15(9-12)21-3/h4-6,9,13,19H,7-8,10-11H2,1-3H3/t13-,16+/m0/s1 SMILES (mnx) [CH3:1][N+:17]([CH3:2])([CH2:11][C@@H:13]1[CH2:7][CH2:8][C:14](=[O:18])[CH2:10][C@:16]1([C:12]1=[CH:9][C:15]([O:21][CH3:3])=[CH:6][CH:4]=[CH:5]1)[OH:19])[O-:20]

Parent-child relations graph

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