compound 0099734

Properties Image MNX_ID MNXM1188779 reference envipathM:...40a4f71d7c81 formula C14H16O6 global charge -2 mol weight 280.276 InChIKey DBMJTBCFTSJFFT-UHFFFAOYSA-L InChI InChI=1S/C14H18O6/c1-7(12(17)18)9-4-8(13(19)20)5-10(11(9)16)14(2,3)6-15/h4-5,7,15-16H,6H2,1-3H3,(H,17,18)(H,19,20)/p-2 SMILES CC(C(=O)[O-])C1=CC(C(=O)[O-])=CC(C(C)(C)CO)=C1O MNX internals InChI (mnx) InChI=1/C14H18O6/c1-7(12(17)18)9-4-8(13(19)20)5-10(11(9)16)14(2,3)6-15/h4-5,7,15-16H,6H2,1-3H3,(H,17,18)(H,19,20)/t7? SMILES (mnx) [CH3:1][CH:7]([C:9]1=[C:11]([OH:16])[C:10]([C:14]([CH3:2])([CH3:3])[CH2:6][OH:15])=[CH:5][C:8]([C:13](=[O:19])[OH:20])=[CH:4]1)[C:12](=[O:17])[OH:18]

Parent-child relations graph

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