compound 0098402

Properties Image MNX_ID MNXM1197347 reference envipathM:...3edb2ca11b9f formula C13H15O4 global charge -1 mol weight 235.259 InChIKey NNAWSNYDRYGLKC-UHFFFAOYSA-M InChI InChI=1S/C13H16O4/c1-7-4-10(8(2)6-14)12(15)11(5-7)9(3)13(16)17/h4-6,8-9,15H,1-3H3,(H,16,17)/p-1 SMILES CC1=CC(C(C)C(=O)[O-])=C(O)C(C(C)C=O)=C1 MNX internals InChI (mnx) InChI=1/C13H16O4/c1-7-4-10(8(2)6-14)12(15)11(5-7)9(3)13(16)17/h4-6,8-9,15H,1-3H3,(H,16,17)/t8?,9? SMILES (mnx) [CH3:1][C:7]1=[CH:4][C:10]([CH:8]([CH3:2])[CH:6]=[O:14])=[C:12]([OH:15])[C:11]([CH:9]([CH3:3])[C:13](=[O:16])[OH:17])=[CH:5]1

Parent-child relations graph

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