compound 0075022

Properties Image MNX_ID MNXM1178269 reference envipathM:...77533905fbdf formula C13H12NO9 global charge -1 mol weight 326.237 InChIKey AUPUBKYRGQTZLZ-UHFFFAOYSA-M InChI InChI=1S/C13H13NO9/c15-4-14-9-8(18)3-5(11(20)12(9)21)10(19)6(16)1-2-7(17)13(22)23/h3,6,10,16,18-21H,1-2H2,(H,22,23)/p-1 SMILES O=C=NC1=C(O)C(O)=C(C(O)C(O)CCC(=O)C(=O)[O-])C=C1O MNX internals InChI (mnx) InChI=1/C13H13NO9/c15-4-14-9-8(18)3-5(11(20)12(9)21)10(19)6(16)1-2-7(17)13(22)23/h3,6,10,16,18-21H,1-2H2,(H,22,23)/t6?,10? SMILES (mnx) [CH2:1]([CH2:2][C:7]([C:13]([OH:22])=[O:23])=[O:17])[CH:6]([CH:10]([C:5]1=[CH:3][C:8]([OH:18])=[C:9]([N:14]=[C:4]=[O:15])[C:12]([OH:21])=[C:11]1[OH:20])[OH:19])[OH:16]

Parent-child relations graph

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