compound 0075911

Properties Image MNX_ID MNXM1188822 reference envipathM:...e860a1691ab6 formula C13H12NO9 global charge -1 mol weight 326.237 InChIKey JNCITYKUFJHFFH-UHFFFAOYSA-M InChI InChI=1S/C13H13NO9/c1-4(2-5(16)13(22)23)8(17)6-9(18)11(20)7(14-3-15)12(21)10(6)19/h4,8,17-21H,2H2,1H3,(H,22,23)/p-1 SMILES CC(CC(=O)C(=O)[O-])C(O)C1=C(O)C(O)=C(N=C=O)C(O)=C1O MNX internals InChI (mnx) InChI=1/C13H13NO9/c1-4(2-5(16)13(22)23)8(17)6-9(18)11(20)7(14-3-15)12(21)10(6)19/h4,8,17-21H,2H2,1H3,(H,22,23)/t4?,8? SMILES (mnx) [CH3:1][CH:4]([CH2:2][C:5]([C:13]([OH:22])=[O:23])=[O:16])[CH:8]([C:6]1=[C:9]([OH:18])[C:11]([OH:20])=[C:7]([N:14]=[C:3]=[O:15])[C:12]([OH:21])=[C:10]1[OH:19])[OH:17]

Parent-child relations graph

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