compound 0235283

Properties Image MNX_ID MNXM1175922 reference envipathM:...a615bbd4e73b formula C16H20NO6 global charge -1 mol weight 322.337 InChIKey ICCNWRJBPALHJP-UHFFFAOYSA-M InChI InChI=1S/C16H21NO6/c1-2-12(15(20)21)9-11-3-5-13(6-4-11)17-16(22)23-10-14(19)7-8-18/h2-6,12,14,18-19H,1,7-10H2,(H,17,22)(H,20,21)/p-1 SMILES C=CC(CC1=CC=C(NC(=O)OCC(O)CCO)C=C1)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C16H21NO6/c1-2-12(15(20)21)9-11-3-5-13(6-4-11)17-16(22)23-10-14(19)7-8-18/h2-6,12,14,18-19H,1,7-10H2,(H,17,22)(H,20,21)/t12?,14? SMILES (mnx) [CH2:1]=[CH:2][CH:12]([CH2:9][C:11]1=[CH:4][CH:6]=[C:13]([NH:17][C:16](=[O:22])[O:23][CH2:10][CH:14]([CH2:7][CH2:8][OH:18])[OH:19])[CH:5]=[CH:3]1)[C:15](=[O:20])[OH:21]

Parent-child relations graph

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