compound 0099201

Properties Image MNX_ID MNXM1173572 reference envipathM:...ff2816c5b82f formula C14H17O7 global charge -1 mol weight 297.283 InChIKey INWBJSCVXSRIKT-UHFFFAOYSA-M InChI InChI=1S/C14H18O7/c1-13(2,5-15)9-10(18)7(4-8(17)11(9)19)14(3,6-16)12(20)21/h4-5,16-19H,6H2,1-3H3,(H,20,21)/p-1 SMILES CC(C)(C=O)C1=C(O)C(O)=CC(C(C)(CO)C(=O)[O-])=C1O MNX internals InChI (mnx) InChI=1/C14H18O7/c1-13(2,5-15)9-10(18)7(4-8(17)11(9)19)14(3,6-16)12(20)21/h4-5,16-19H,6H2,1-3H3,(H,20,21)/t14? SMILES (mnx) [CH3:1][C:13]([CH3:2])([CH:5]=[O:15])[C:9]1=[C:10]([OH:18])[C:7]([C:14]([CH3:3])([CH2:6][OH:16])[C:12](=[O:20])[OH:21])=[CH:4][C:8]([OH:17])=[C:11]1[OH:19]

Parent-child relations graph

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