Met000502: 24-Hydroxychiisanogenin

  Metabolite Information

Name
24-Hydroxychiisanogenin
IUPAC Name
(1R,2R,5S,8R,9R,10R,12R,16R,17S,18S,21S)-16-hydroxy-18-(3-hydroxyprop-1-en-2-yl)-1,2,17-trimethyl-14-oxo-8-prop-1-en-2-yl-13-oxapentacyclo[10.8.1.02,10.05,9.017,21]henicosane-5-carboxylic acid
Molecular Formula
C30H44O6
Molecular Weight
500.7
Exact Mass
500.3137891
SMILES
CC(=C)C1CCC2(C1C3CC4C5C(C3(CC2)C)(CCC(C5(C(CC(=O)O4)O)C)C(=C)CO)C)C(=O)O
InChIKey
UCJXVFRGIUDXAB-YQIBJACNSA-N
InChI
InChI=1S/C30H44O6/c1-16(2)18-7-10-30(26(34)35)12-11-27(4)20(24(18)30)13-21-25-28(27,5)9-8-19(17(3)15-31)29(25,6)22(32)14-23(33)36-21/h18-22,24-25,31-32H,1,3,7-15H2,2,4-6H3,(H,34,35)/t18-,19-,20+,21+,22+,24+,25-,27+,28+,29+,30-/m0/s1
Other Databases Link
PubChem:10601478

  Structure

  2D Structure
  3D Structure

  Classification 

(data sourced from ClassyFire)

Kingdom: Organic compounds
    Superclass: Lipids and lipid-like molecules
        Class: Prenol lipids
            Subclass: Triterpenoids

  Crops containing this metabolite

kiwifruit

  Metabolite Spectrum Accession Label

KIW00013n