compound 0046011

Properties Image MNX_ID MNXM1191379 reference envipathM:...80f0073e9576 formula C8H7O6 global charge -1 mol weight 199.138 InChIKey OJEBJTHETZDCKV-IWQZZHSRSA-M InChI InChI=1S/C8H8O6/c9-4-2-5(10)8(14)7(13)3(4)1-6(11)12/h1,5,8,10,14H,2H2,(H,11,12)/p-1/b3-1- SMILES O=C([O-])/C=C1/C(=O)CC(O)C(O)C1=O MNX internals InChI (mnx) InChI=1/C8H8O6/c9-4-2-5(10)8(14)7(13)3(4)1-6(11)12/h1,5,8,10,14H,2H2,(H,11,12)/b3-1-/t5?,8? SMILES (mnx) [CH:1](=[C:3]1/[C:4](=[O:9])[CH2:2][CH:5]([OH:10])[CH:8]([OH:14])[C:7]1=[O:13])\[C:6](=[O:11])[OH:12]

Parent-child relations graph

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