compound 0074087

Properties Image MNX_ID MNXM1177552 reference envipathM:...062cd8d9761b formula C13H13NO8 global charge -2 mol weight 311.246 InChIKey QUSAKRJBKPZKFB-UHFFFAOYSA-L InChI InChI=1S/C13H15NO8/c15-5-6(4-9(16)12(19)20)3-7-1-2-8(14-13(21)22)11(18)10(7)17/h1-2,6,14-15,17-18H,3-5H2,(H,19,20)(H,21,22)/p-2 SMILES O=C([O-])NC1=CC=C(CC(CO)CC(=O)C(=O)[O-])C(O)=C1O MNX internals InChI (mnx) InChI=1/C13H15NO8/c15-5-6(4-9(16)12(19)20)3-7-1-2-8(14-13(21)22)11(18)10(7)17/h1-2,6,14-15,17-18H,3-5H2,(H,19,20)(H,21,22)/t6? SMILES (mnx) [CH:1]1=[CH:2][C:8]([NH:14][C:13](=[O:21])[OH:22])=[C:11]([OH:18])[C:10]([OH:17])=[C:7]1[CH2:3][CH:6]([CH2:4][C:9]([C:12]([OH:19])=[O:20])=[O:16])[CH2:5][OH:15]

Parent-child relations graph

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