compound 0076176

Properties Image MNX_ID MNXM1185155 reference envipathM:...faeff2f6bc65 formula C14H12NO8 global charge -1 mol weight 322.249 InChIKey GNBKSQOVSPEQBN-UHFFFAOYSA-M InChI InChI=1S/C14H13NO8/c16-5-9(18)12(20)13(21)10(14(22)23)11(19)7-1-3-8(4-2-7)15-6-17/h1-4,11-12,16,19-21H,5H2,(H,22,23)/p-1 SMILES O=C=NC1=CC=C(C(O)C(C(=O)[O-])=C(O)C(O)C(=O)CO)C=C1 MNX internals InChI (mnx) InChI=1/C14H13NO8/c16-5-9(18)12(20)13(21)10(14(22)23)11(19)7-1-3-8(4-2-7)15-6-17/h1-4,11-12,16,19-21H,5H2,(H,22,23)/b13-10?/t11?,12? SMILES (mnx) [CH:1]1=[CH:3][C:8]([N:15]=[C:6]=[O:17])=[CH:4][CH:2]=[C:7]1[CH:11]([C:10](=[C:13]([CH:12]([C:9]([CH2:5][OH:16])=[O:18])[OH:20])[OH:21])[C:14](=[O:22])[OH:23])[OH:19]

Parent-child relations graph

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