compound 0072767

Properties Image MNX_ID MNXM1190429 reference envipathM:...d31ff0b30f92 formula C12H11O5 global charge -1 mol weight 235.215 InChIKey QBCKUEDSQAYCIQ-UHFFFAOYSA-M InChI InChI=1S/C12H12O5/c13-9-6-5-8(7-11(9)15)3-1-2-4-10(14)12(16)17/h1-2,5-7,13,15H,3-4H2,(H,16,17)/p-1 SMILES O=C([O-])C(=O)CC=CCC1=CC=C(O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C12H12O5/c13-9-6-5-8(7-11(9)15)3-1-2-4-10(14)12(16)17/h1-2,5-7,13,15H,3-4H2,(H,16,17)/b2-1? SMILES (mnx) [CH:1](=[CH:2][CH2:4][C:10]([C:12]([OH:16])=[O:17])=[O:14])[CH2:3][C:8]1=[CH:7][C:11]([OH:15])=[C:9]([OH:13])[CH:6]=[CH:5]1

Parent-child relations graph

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