Met008739: Telephiose B

  Metabolite Information

Name
Telephiose B
IUPAC Name
[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R,5R)-2-(acetyloxymethyl)-3-benzoyloxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] benzoate
Molecular Formula
C36H44O20
Molecular Weight
796.7
Exact Mass
796.2425938
SMILES
CC(=O)OCC1C(C(C(C(O1)OC2C(C(C(OC2OC3(C(C(C(O3)CO)O)OC(=O)C4=CC=CC=C4)COC(=O)C)CO)OC(=O)C5=CC=CC=C5)O)O)O)O
InChIKey
AJQAKIHZLZOMSV-FQAJZHTNSA-N
InChI
InChI=1S/C36H44O20/c1-17(39)48-15-23-24(41)26(43)27(44)34(51-23)53-30-28(45)29(52-32(46)19-9-5-3-6-10-19)22(14-38)50-35(30)56-36(16-49-18(2)40)31(25(42)21(13-37)55-36)54-33(47)20-11-7-4-8-12-20/h3-12,21-31,34-35,37-38,41-45H,13-16H2,1-2H3/t21-,22-,23-,24-,25-,26+,27-,28+,29-,30-,31+,34+,35-,36+/m1/s1
Other Databases Link
PubChem:101062513

  Structure

  2D Structure
  3D Structure

  Classification 

(data sourced from ClassyFire)

Kingdom: Organic compounds
    Superclass: Organic acids and derivatives
        Class: Carboxylic acids and derivatives
            Subclass: Tetracarboxylic acids and derivatives

  Crops containing this metabolite

fig

  Metabolite Spectrum Accession Label

FIG00017n