compound 0099176

Properties Image MNX_ID MNXM1172407 reference envipathM:...c7d8b7a862e4 formula C15H16O6 global charge -2 mol weight 292.287 InChIKey YQGYJLYMYAYOBP-UHFFFAOYSA-L InChI InChI=1S/C15H18O6/c1-8-3-11(9(2)5-13(17)18)15(21)12(4-8)10(7-16)6-14(19)20/h3-4,7,9-10,21H,5-6H2,1-2H3,(H,17,18)(H,19,20)/p-2 SMILES CC1=CC(C(C=O)CC(=O)[O-])=C(O)C(C(C)CC(=O)[O-])=C1 MNX internals InChI (mnx) InChI=1/C15H18O6/c1-8-3-11(9(2)5-13(17)18)15(21)12(4-8)10(7-16)6-14(19)20/h3-4,7,9-10,21H,5-6H2,1-2H3,(H,17,18)(H,19,20)/t9?,10? SMILES (mnx) [CH3:1][C:8]1=[CH:3][C:11]([CH:9]([CH3:2])[CH2:5][C:13](=[O:17])[OH:18])=[C:15]([OH:21])[C:12]([CH:10]([CH2:6][C:14](=[O:19])[OH:20])[CH:7]=[O:16])=[CH:4]1

Parent-child relations graph

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