compound 0070253

Properties Image MNX_ID MNXM1176760 reference envipathM:...6563ca3de867 formula C13H14O4 global charge -2 mol weight 234.251 InChIKey DIVLBIVDYADZPL-YGPZHTELSA-L InChI InChI=1S/C13H16O4/c1-8(12(14)15)7-10-3-5-11(6-4-10)9(2)13(16)17/h3-6,8-9H,7H2,1-2H3,(H,14,15)(H,16,17)/p-2/t8?,9-/m1/s1 SMILES CC(CC1=CC=C([C@@H](C)C(=O)[O-])C=C1)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H16O4/c1-8(12(14)15)7-10-3-5-11(6-4-10)9(2)13(16)17/h3-6,8-9H,7H2,1-2H3,(H,14,15)(H,16,17)/t8?,9-/m1/s1 SMILES (mnx) [CH3:1][CH:8]([CH2:7][C:10]1=[CH:4][CH:6]=[C:11]([C@@H:9]([CH3:2])[C:13](=[O:16])[OH:17])[CH:5]=[CH:3]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