Met007821: Dichotosin

  Metabolite Information

Name
Dichotosin
IUPAC Name
(3S,4S,6S)-2-(hydroxymethyl)-6-[[(2S)-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-5-yl]oxy]oxane-3,4,5-triol
Molecular Formula
C23H28O9
Molecular Weight
448.5
Exact Mass
448.1733325
SMILES
COC1=CC=C(C=C1)C2CCC3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)OC
InChIKey
MPDDNOZYQCUCDA-VXRMHVKASA-N
InChI
InChI=1S/C23H28O9/c1-28-13-5-3-12(4-6-13)16-8-7-15-17(30-16)9-14(29-2)10-18(15)31-23-22(27)21(26)20(25)19(11-24)32-23/h3-6,9-10,16,19-27H,7-8,11H2,1-2H3/t16-,19?,20+,21-,22?,23+/m0/s1
Other Databases Link
PubChem:44257198

  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

pear
watermelon

  Metabolite Spectrum Accession Label

PEAR00013p
WAT00025p
WAT00097p