Acetylvalerenolic acid

Properties Image MNX_ID MNXM118790 reference chebi:172142 formula C17H24O4 global charge 0 mol weight 292.375 InChIKey VBBXZFLAYWAXSK-YRNVUSSQSA-N InChI InChI=1S/C17H24O4/c1-9-5-6-13(7-11(3)17(19)20)15-10(2)8-14(16(9)15)21-12(4)18/h7,9,13-14,16H,5-6,8H2,1-4H3,(H,19,20)/b11-7+ SMILES CC(=O)OC1CC(C)=C2C(/C=C(\C)C(=O)O)CCC(C)C21 MNX internals InChI (mnx) InChI=1/C17H24O4/c1-9-5-6-13(7-11(3)17(19)20)15-10(2)8-14(16(9)15)21-12(4)18/h7,9,13-14,16H,5-6,8H2,1-4H3,(H,19,20)/b11-7+/t9?,13?,14?,16? SMILES (mnx) [CH3:1][CH:9]1[CH2:5][CH2:6][CH:13](/[CH:7]=[C:11](\[CH3:3])[C:17](=[O:19])[OH:20])[C:15]2=[C:10]([CH3:2])[CH2:8][CH:14]([O:21][C:12]([CH3:4])=[O:18])[CH:16]12

Parent-child relations graph

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