Met003489: Globularidin

  Metabolite Information

Name
Globularidin
IUPAC Name
[(1S,2S,4S,5S,6R,10S)-5-hydroxy-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]decan-2-yl]methyl (E)-3-phenylprop-2-enoate
Molecular Formula
C24H30O11
Molecular Weight
494.5
Exact Mass
494.1788118
SMILES
C1COC(C2C1C(C3C2(O3)COC(=O)C=CC4=CC=CC=C4)O)OC5C(C(C(C(O5)CO)O)O)O
InChIKey
CPHCYIDKOAOKCL-LUVHZPKESA-N
InChI
InChI=1S/C24H30O11/c25-10-14-18(28)19(29)20(30)23(33-14)34-22-16-13(8-9-31-22)17(27)21-24(16,35-21)11-32-15(26)7-6-12-4-2-1-3-5-12/h1-7,13-14,16-23,25,27-30H,8-11H2/b7-6+/t13-,14-,16-,17+,18-,19+,20-,21+,22+,23+,24-/m1/s1
Other Databases Link
PubChem:21603203

  Structure

  2D Structure
  3D Structure

  Classification 

(data sourced from ClassyFire)

Kingdom: Organic compounds
    Superclass: Organic oxygen compounds
        Class: Organooxygen compounds
            Subclass: Carbohydrates and carbohydrate conjugates

  Crops containing this metabolite

morus
perilla

  Metabolite Spectrum Accession Label

MALB01561n
MALB01559n
PER00008n