compound 0073602

Properties Image MNX_ID MNXM1194896 reference envipathM:...75667bb65818 formula C13H10NO9 global charge -1 mol weight 324.221 InChIKey FBTMCLIOLZLWOC-UHFFFAOYSA-M InChI InChI=1S/C13H11NO9/c15-4-14-7-11(20)8(17)5(9(18)12(7)21)2-1-3-6(16)10(19)13(22)23/h1,3,6,16-18,20-21H,2H2,(H,22,23)/p-1 SMILES O=C=NC1=C(O)C(O)=C(CC=CC(O)C(=O)C(=O)[O-])C(O)=C1O MNX internals InChI (mnx) InChI=1/C13H11NO9/c15-4-14-7-11(20)8(17)5(9(18)12(7)21)2-1-3-6(16)10(19)13(22)23/h1,3,6,16-18,20-21H,2H2,(H,22,23)/b3-1?/t6? SMILES (mnx) [CH:1]([CH2:2][C:5]1=[C:8]([OH:17])[C:11]([OH:20])=[C:7]([N:14]=[C:4]=[O:15])[C:12]([OH:21])=[C:9]1[OH:18])=[CH:3][CH:6]([C:10]([C:13]([OH:22])=[O:23])=[O:19])[OH:16]

Parent-child relations graph

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