compound 0050173

Properties Image MNX_ID MNXM1175739 reference envipathM:...a36d7fe87856 formula C13H22O3 global charge 0 mol weight 226.316 InChIKey QBGYALPWJGLSDZ-UHFFFAOYSA-N InChI InChI=1S/C13H22O3/c1-5-13(3,4)11-8-10(15)6-7-12(11)16-9(2)14/h11-12H,5-8H2,1-4H3 SMILES CCC(C)(C)C1CC(=O)CCC1OC(C)=O MNX internals InChI (mnx) InChI=1/C13H22O3/c1-5-13(3,4)11-8-10(15)6-7-12(11)16-9(2)14/h11-12H,5-8H2,1-4H3/t11?,12? SMILES (mnx) [CH3:1][CH2:5][C:13]([CH3:3])([CH3:4])[CH:11]1[CH2:8][C:10](=[O:15])[CH2:6][CH2:7][CH:12]1[O:16][C:9]([CH3:2])=[O:14]

Parent-child relations graph

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