Ketosantalic acid

Properties Image MNX_ID MNXM127094 reference chebi:174301 formula C15H22O3 global charge 0 mol weight 250.338 InChIKey PJKNORSNWWYCMC-UHFFFAOYSA-N InChI InChI=1S/C15H22O3/c1-8(13(17)18)4-10(16)7-14(2)9-5-11-12(6-9)15(11,14)3/h8-9,11-12H,4-7H2,1-3H3,(H,17,18) SMILES CC(CC(=O)CC1(C)C2CC3C(C2)C31C)C(=O)O MNX internals InChI (mnx) InChI=1/C15H22O3/c1-8(13(17)18)4-10(16)7-14(2)9-5-11-12(6-9)15(11,14)3/h8-9,11-12H,4-7H2,1-3H3,(H,17,18)/t8?,9?,11?,12?,14?,15? SMILES (mnx) [CH3:1][CH:8]([CH2:4][C:10]([CH2:7][C:14]1([CH3:2])[CH:9]2[CH2:5][CH:11]3[CH:12]([CH2:6]2)[C:15]31[CH3:3])=[O:16])[C:13](=[O:17])[OH:18]

Parent-child relations graph

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