compound 0098378

Properties Image MNX_ID MNXM1195965 reference envipathM:...52b2fc0919a1 formula C13H18O4 global charge 0 mol weight 238.283 InChIKey BJXPOPGISQJVLQ-UHFFFAOYSA-N InChI InChI=1S/C13H18O4/c1-12(2,16)9-5-8(7-14)6-10(11(9)15)13(3,4)17/h5-7,15-17H,1-4H3 SMILES CC(C)(O)C1=CC(C=O)=CC(C(C)(C)O)=C1O MNX internals InChI (mnx) InChI=1/C13H18O4/c1-12(2,16)9-5-8(7-14)6-10(11(9)15)13(3,4)17/h5-7,15-17H,1-4H3 SMILES (mnx) [CH3:1][C:12]([CH3:2])([C:9]1=[C:11]([OH:15])[C:10]([C:13]([CH3:3])([CH3:4])[OH:17])=[CH:6][C:8]([CH:7]=[O:14])=[CH:5]1)[OH:16]

Parent-child relations graph

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