orsellinate

Properties Image MNX_ID MNXM2411 reference chebi:16162 formula C8H7O4 global charge -1 mol weight 167.14 InChIKey AMKYESDOVDKZKV-UHFFFAOYSA-M InChI InChI=1S/C8H8O4/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3,9-10H,1H3,(H,11,12)/p-1 SMILES CC1=CC(O)=CC(O)=C1C(=O)[O-] MNX internals InChI (mnx) InChI=1/C8H8O4/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3,9-10H,1H3,(H,11,12) SMILES (mnx) [CH3:1][C:4]1=[CH:2][C:5]([OH:9])=[CH:3][C:6]([OH:10])=[C:7]1[C:8](=[O:11])[OH:12]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 9 in models (compartimentalized) 1