compound 0074506

Properties Image MNX_ID MNXM1180979 reference envipathM:...1066c7399ad0 formula C13H10NO9 global charge -1 mol weight 324.221 InChIKey TYWODSQJNULNHN-UHFFFAOYSA-M InChI InChI=1S/C13H11NO9/c15-4-14-9-8(18)3-5(10(19)12(9)21)6(16)1-2-7(17)11(20)13(22)23/h1-3,6-7,16-19,21H,(H,22,23)/p-1 SMILES O=C=NC1=C(O)C(O)=C(C(O)C=CC(O)C(=O)C(=O)[O-])C=C1O MNX internals InChI (mnx) InChI=1/C13H11NO9/c15-4-14-9-8(18)3-5(10(19)12(9)21)6(16)1-2-7(17)11(20)13(22)23/h1-3,6-7,16-19,21H,(H,22,23)/b2-1?/t6?,7? SMILES (mnx) [CH:1](=[CH:2][CH:7]([C:11]([C:13]([OH:22])=[O:23])=[O:20])[OH:17])[CH:6]([C:5]1=[CH:3][C:8]([OH:18])=[C:9]([N:14]=[C:4]=[O:15])[C:12]([OH:21])=[C:10]1[OH:19])[OH:16]

Parent-child relations graph

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