compound 0233873

Properties Image MNX_ID MNXM1208335 reference envipathM:...bed6dfae1205 formula C16H20NO6 global charge -1 mol weight 322.337 InChIKey FUWASSNYZJRSBM-UHFFFAOYSA-M InChI InChI=1S/C16H21NO6/c1-2-14(18)11-12-5-7-13(8-6-12)17-15(19)22-9-3-4-10-23-16(20)21/h2,5-8,14,18H,1,3-4,9-11H2,(H,17,19)(H,20,21)/p-1 SMILES C=CC(O)CC1=CC=C(NC(=O)OCCCCOC(=O)[O-])C=C1 MNX internals InChI (mnx) InChI=1/C16H21NO6/c1-2-14(18)11-12-5-7-13(8-6-12)17-15(19)22-9-3-4-10-23-16(20)21/h2,5-8,14,18H,1,3-4,9-11H2,(H,17,19)(H,20,21)/t14? SMILES (mnx) [CH2:1]=[CH:2][CH:14]([CH2:11][C:12]1=[CH:6][CH:8]=[C:13]([NH:17][C:15](=[O:19])[O:22][CH2:9][CH2:3][CH2:4][CH2:10][O:23][C:16](=[O:20])[OH:21])[CH:7]=[CH:5]1)[OH:18]

Parent-child relations graph

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