compound 0099377

Properties Image MNX_ID MNXM1185181 reference envipathM:...d520963af7af formula C13H17O6 global charge -1 mol weight 269.273 InChIKey YJCOXYDBGUGHHP-UHFFFAOYSA-M InChI InChI=1S/C13H18O6/c1-12(2,3)10(17)8(15)7(9(16)11(18)19)13(4,5)6-14/h6-7H,1-5H3,(H,18,19)/p-1 SMILES CC(C)(C)C(=O)C(=O)C(C(=O)C(=O)[O-])C(C)(C)C=O MNX internals InChI (mnx) InChI=1/C13H18O6/c1-12(2,3)10(17)8(15)7(9(16)11(18)19)13(4,5)6-14/h6-7H,1-5H3,(H,18,19)/t7? SMILES (mnx) [CH3:1][C:12]([CH3:2])([CH3:3])[C:10]([C:8]([CH:7]([C:9]([C:11]([OH:18])=[O:19])=[O:16])[C:13]([CH3:4])([CH3:5])[CH:6]=[O:14])=[O:15])=[O:17]

Parent-child relations graph

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