Met008214: Sofalcone

  Metabolite Information

Name
Sofalcone
IUPAC Name
2-[5-(3-methylbut-2-enoxy)-2-[(E)-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enoyl]phenoxy]acetic acid
Molecular Formula
C27H30O6
Molecular Weight
450.5
Exact Mass
450.2042387
SMILES
CC(=CCOC1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)OCC=C(C)C)OCC(=O)O)C
InChIKey
GFWRVVCDTLRWPK-KPKJPENVSA-N
InChI
InChI=1S/C27H30O6/c1-19(2)13-15-31-22-8-5-21(6-9-22)7-12-25(28)24-11-10-23(32-16-14-20(3)4)17-26(24)33-18-27(29)30/h5-14,17H,15-16,18H2,1-4H3,(H,29,30)/b12-7+
Other Databases Link
PubChem:5282219

  Structure

  2D Structure
  3D Structure

  Classification 

(data sourced from ClassyFire)

Kingdom: Organic compounds
    Superclass: Phenylpropanoids and polyketides
        Class: Linear 1,3-diarylpropanoids
            Subclass: NA

  Crops containing this metabolite

pineapple

  Metabolite Spectrum Accession Label

PIN00005n