compound 0073197

Properties Image MNX_ID MNXM1171964 reference envipathM:...c7463795f0fa formula C12H10NO5 global charge -1 mol weight 248.214 InChIKey BXPNTPWGRYCHSA-UHFFFAOYSA-M InChI InChI=1S/C12H11NO5/c14-6-11(16)10(12(17)18)5-8-1-3-9(4-2-8)13-7-15/h1-4,6,10-11,16H,5H2,(H,17,18)/p-1 SMILES O=C=NC1=CC=C(CC(C(=O)[O-])C(O)C=O)C=C1 MNX internals InChI (mnx) InChI=1/C12H11NO5/c14-6-11(16)10(12(17)18)5-8-1-3-9(4-2-8)13-7-15/h1-4,6,10-11,16H,5H2,(H,17,18)/t10?,11? SMILES (mnx) [CH:1]1=[CH:3][C:9]([N:13]=[C:7]=[O:15])=[CH:4][CH:2]=[C:8]1[CH2:5][CH:10]([CH:11]([CH:6]=[O:14])[OH:16])[C:12](=[O:17])[OH:18]

Parent-child relations graph

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