compound 0073540

Properties Image MNX_ID MNXM1183121 reference envipathM:...9324a457cdf8 formula C12H10NO5 global charge -1 mol weight 248.214 InChIKey BPFKZHZINUGIMZ-UHFFFAOYSA-M InChI InChI=1S/C12H11NO5/c1-2-12(18,11(16)17)10(15)8-3-5-9(6-4-8)13-7-14/h3-6,18H,2H2,1H3,(H,16,17)/p-1 SMILES CCC(O)(C(=O)[O-])C(=O)C1=CC=C(N=C=O)C=C1 MNX internals InChI (mnx) InChI=1/C12H11NO5/c1-2-12(18,11(16)17)10(15)8-3-5-9(6-4-8)13-7-14/h3-6,18H,2H2,1H3,(H,16,17)/t12? SMILES (mnx) [CH3:1][CH2:2][C:12]([C:10]([C:8]1=[CH:4][CH:6]=[C:9]([N:13]=[C:7]=[O:14])[CH:5]=[CH:3]1)=[O:15])([C:11](=[O:16])[OH:17])[OH:18]

Parent-child relations graph

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