Met006429: Phellavin

  Metabolite Information

Name
Phellavin
IUPAC Name
3,5-dihydroxy-6-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Molecular Formula
C26H32O12
Molecular Weight
536.5
Exact Mass
536.1893765
SMILES
CC(C)(CCC1=C(C=C2C(=C1O)C(=O)C(C(O2)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O)O
InChIKey
YXACCHLOUSCDDR-UHFFFAOYSA-N
InChI
InChI=1S/C26H32O12/c1-26(2,35)8-7-13-14(37-25-23(34)21(32)19(30)16(10-27)38-25)9-15-17(18(13)29)20(31)22(33)24(36-15)11-3-5-12(28)6-4-11/h3-6,9,16,19,21-25,27-30,32-35H,7-8,10H2,1-2H3
Other Databases Link
PubChem:14392624

  Structure

  2D Structure
  3D Structure

  Classification 

(data sourced from ClassyFire)

Kingdom: Organic compounds
    Superclass: Phenylpropanoids and polyketides
        Class: Flavonoids
            Subclass: Flavonoid glycosides

  Crops containing this metabolite

kiwifruit
perilla
turnip

  Metabolite Spectrum Accession Label

KIW00544n
PER01350p
TUR00008n