compound 0098907

Properties Image MNX_ID MNXM1187353 reference envipathM:...e79bace621e9 formula C13H21O6 global charge -1 mol weight 273.305 InChIKey NWPAWTKMBUYZCL-UHFFFAOYSA-M InChI InChI=1S/C13H22O6/c1-12(2,6-14)5-8(16)9(10(17)11(18)19)13(3,4)7-15/h7-9,14,16H,5-6H2,1-4H3,(H,18,19)/p-1 SMILES CC(C)(CO)CC(O)C(C(=O)C(=O)[O-])C(C)(C)C=O MNX internals InChI (mnx) InChI=1/C13H22O6/c1-12(2,6-14)5-8(16)9(10(17)11(18)19)13(3,4)7-15/h7-9,14,16H,5-6H2,1-4H3,(H,18,19)/t8?,9? SMILES (mnx) [CH3:1][C:12]([CH3:2])([CH2:5][CH:8]([CH:9]([C:10]([C:11]([OH:18])=[O:19])=[O:17])[C:13]([CH3:3])([CH3:4])[CH:7]=[O:15])[OH:16])[CH2:6][OH:14]

Parent-child relations graph

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