compound 0074194

Properties Image MNX_ID MNXM1268123 reference envipathM:...3ef49c013e24 formula C12H13O7 global charge -1 mol weight 269.229 InChIKey XECJOYICEHWIRI-UHFFFAOYSA-M InChI InChI=1S/C12H14O7/c13-7(5-11(17)12(18)19)4-9(15)6-1-2-8(14)10(16)3-6/h1-3,7,9,13-16H,4-5H2,(H,18,19)/p-1 SMILES O=C([O-])C(=O)CC(O)CC(O)C1=CC=C(O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C12H14O7/c13-7(5-11(17)12(18)19)4-9(15)6-1-2-8(14)10(16)3-6/h1-3,7,9,13-16H,4-5H2,(H,18,19)/t7?,9? SMILES (mnx) [CH:1]1=[CH:2][C:8]([OH:14])=[C:10]([OH:16])[CH:3]=[C:6]1[CH:9]([CH2:4][CH:7]([CH2:5][C:11]([C:12]([OH:18])=[O:19])=[O:17])[OH:13])[OH:15]

Parent-child relations graph

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