compound 0047159

Properties Image MNX_ID MNXM1173077 reference envipathM:...2daaf8a0a886 formula C12H22O4 global charge 0 mol weight 230.304 InChIKey JYPUQNWBAFAQMO-UHFFFAOYSA-N InChI InChI=1S/C12H22O4/c1-7(2)10-5-4-9(6-11(10)14)16-12(15)8(3)13/h7-11,13-14H,4-6H2,1-3H3 SMILES CC(O)C(=O)OC1CCC(C(C)C)C(O)C1 MNX internals InChI (mnx) InChI=1/C12H22O4/c1-7(2)10-5-4-9(6-11(10)14)16-12(15)8(3)13/h7-11,13-14H,4-6H2,1-3H3/t8?,9?,10?,11? SMILES (mnx) [CH3:1][CH:7]([CH3:2])[CH:10]1[CH2:5][CH2:4][CH:9]([O:16][C:12]([CH:8]([CH3:3])[OH:13])=[O:15])[CH2:6][CH:11]1[OH:14]

Parent-child relations graph

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