olivetolate

Properties Image MNX_ID MNXM7610 reference chebi:66950 formula C12H15O4 global charge -1 mol weight 223.248 InChIKey SXFKFRRXJUJGSS-UHFFFAOYSA-M InChI InChI=1S/C12H16O4/c1-2-3-4-5-8-6-9(13)7-10(14)11(8)12(15)16/h6-7,13-14H,2-5H2,1H3,(H,15,16)/p-1 SMILES CCCCCC1=C(C(=O)[O-])C(O)=CC(O)=C1 MNX internals InChI (mnx) InChI=1/C12H16O4/c1-2-3-4-5-8-6-9(13)7-10(14)11(8)12(15)16/h6-7,13-14H,2-5H2,1H3,(H,15,16) SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][C:8]1=[CH:6][C:9]([OH:13])=[CH:7][C:10]([OH:14])=[C:11]1[C:12](=[O:15])[OH:16]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 0