compound 0057684

Properties Image MNX_ID MNXM1170996 reference envipathM:...326baf808ad2 formula C12H11O4 global charge -1 mol weight 219.216 InChIKey QCMPQUKBXBMHOO-UHFFFAOYSA-M InChI InChI=1S/C12H12O4/c1-2-9(11(14)12(15)16)6-8-4-3-5-10(13)7-8/h2-5,7,9,13H,1,6H2,(H,15,16)/p-1 SMILES C=CC(CC1=CC=CC(O)=C1)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H12O4/c1-2-9(11(14)12(15)16)6-8-4-3-5-10(13)7-8/h2-5,7,9,13H,1,6H2,(H,15,16)/t9? SMILES (mnx) [CH2:1]=[CH:2][CH:9]([CH2:6][C:8]1=[CH:7][C:10]([OH:13])=[CH:5][CH:3]=[CH:4]1)[C:11]([C:12]([OH:15])=[O:16])=[O:14]

Parent-child relations graph

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