valerylsalicylic acid

Properties Image MNX_ID MNXM162049 reference chebi:78250 formula C12H14O4 global charge 0 mol weight 222.24 InChIKey WJHZBTMHUNVIKC-UHFFFAOYSA-N InChI InChI=1S/C12H14O4/c1-2-3-8-11(13)16-10-7-5-4-6-9(10)12(14)15/h4-7H,2-3,8H2,1H3,(H,14,15) SMILES CCCCC(=O)OC1=CC=CC=C1C(=O)O MNX internals InChI (mnx) InChI=1/C12H14O4/c1-2-3-8-11(13)16-10-7-5-4-6-9(10)12(14)15/h4-7H,2-3,8H2,1H3,(H,14,15) SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:8][C:11](=[O:13])[O:16][C:10]1=[CH:7][CH:5]=[CH:4][CH:6]=[C:9]1[C:12](=[O:14])[OH:15]

Parent-child relations graph

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