compound 0075975

Properties Image MNX_ID MNXM1177366 reference envipathM:...0aeff97dc0d1 formula C13H10NO9 global charge -1 mol weight 324.221 InChIKey QNBMKRYYPYKROK-UHFFFAOYSA-M InChI InChI=1S/C13H11NO9/c15-4-14-6-2-1-5(9(18)11(6)20)10(19)12(21)7(16)3-8(17)13(22)23/h1-2,7,10,16,18-20H,3H2,(H,22,23)/p-1 SMILES O=C=NC1=CC=C(C(O)C(=O)C(O)CC(=O)C(=O)[O-])C(O)=C1O MNX internals InChI (mnx) InChI=1/C13H11NO9/c15-4-14-6-2-1-5(9(18)11(6)20)10(19)12(21)7(16)3-8(17)13(22)23/h1-2,7,10,16,18-20H,3H2,(H,22,23)/t7?,10? SMILES (mnx) [CH:1]1=[CH:2][C:6]([N:14]=[C:4]=[O:15])=[C:11]([OH:20])[C:9]([OH:18])=[C:5]1[CH:10]([C:12]([CH:7]([CH2:3][C:8]([C:13]([OH:22])=[O:23])=[O:17])[OH:16])=[O:21])[OH:19]

Parent-child relations graph

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