compound 0053627

Properties Image MNX_ID MNXM1170833 reference envipathM:...0567d239fb66 formula C13H22O3 global charge 0 mol weight 226.316 InChIKey FMRZHKASOSIHOQ-UHFFFAOYSA-N InChI InChI=1S/C13H22O3/c1-10(2)6-7-11(14)9-13(16)8-4-3-5-12(13)15/h12,15-16H,1,3-9H2,2H3 SMILES C=C(C)CCC(=O)CC1(O)CCCCC1O MNX internals InChI (mnx) InChI=1/C13H22O3/c1-10(2)6-7-11(14)9-13(16)8-4-3-5-12(13)15/h12,15-16H,1,3-9H2,2H3/t12?,13? SMILES (mnx) [CH2:1]=[C:10]([CH3:2])[CH2:6][CH2:7][C:11]([CH2:9][C:13]1([OH:16])[CH2:8][CH2:4][CH2:3][CH2:5][CH:12]1[OH:15])=[O:14]

Parent-child relations graph

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