Met008265: Spicatolide C

  Metabolite Information

Name
Spicatolide C
IUPAC Name
(1S,6R,8R,12R)-6,12-dihydroxy-4-(hydroxymethyl)-8,12-dimethyl-2,14-dioxatricyclo[6.5.1.01,5]tetradec-4-ene-3,9-dione
Molecular Formula
C15H20O7
Molecular Weight
312.31
Exact Mass
312.120903
SMILES
CC1(CCC(=O)C2(CC(C3=C(C(=O)OC3(C1)O2)CO)O)C)O
InChIKey
UTMMQAKYUSCCMW-SEWBAHNZSA-N
InChI
InChI=1S/C15H20O7/c1-13(20)4-3-10(18)14(2)5-9(17)11-8(6-16)12(19)21-15(11,7-13)22-14/h9,16-17,20H,3-7H2,1-2H3/t9-,13-,14-,15-/m1/s1
Other Databases Link
PubChem:101418621

  Structure

  2D Structure
  3D Structure

  Classification 

(data sourced from ClassyFire)

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

  Crops containing this metabolite

banana
lemon

  Metabolite Spectrum Accession Label

BAN00012n
LEM00824n