compound 0069533

Properties Image MNX_ID MNXM1189164 reference envipathM:...a104058ccade formula C13H18O6 global charge -2 mol weight 270.281 InChIKey UKVQPZAOZTTWOK-UHFFFAOYSA-L InChI InChI=1S/C13H20O6/c1-8(10(14)11(15)16)9(2)19-7-5-6-13(3,4)12(17)18/h8H,2,5-7H2,1,3-4H3,(H,15,16)(H,17,18)/p-2 SMILES C=C(OCCCC(C)(C)C(=O)[O-])C(C)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H20O6/c1-8(10(14)11(15)16)9(2)19-7-5-6-13(3,4)12(17)18/h8H,2,5-7H2,1,3-4H3,(H,15,16)(H,17,18)/t8? SMILES (mnx) [CH3:1][CH:8]([C:9](=[CH2:2])[O:19][CH2:7][CH2:5][CH2:6][C:13]([CH3:3])([CH3:4])[C:12](=[O:17])[OH:18])[C:10]([C:11]([OH:15])=[O:16])=[O:14]

Parent-child relations graph

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