Met000890: Patientoside B

  Metabolite Information

Name
Patientoside B
IUPAC Name
(10R)-1,8,10-trihydroxy-3-methoxy-6-methyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-one
Molecular Formula
C22H24O10
Molecular Weight
448.4
Exact Mass
448.136947
SMILES
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2(C4C(C(C(C(O4)CO)O)O)O)O)C=C(C=C3O)OC
InChIKey
YRIBLYNKVATTRE-XFLFZXHGSA-N
InChI
InChI=1S/C22H24O10/c1-8-3-10-15(12(24)4-8)18(27)16-11(5-9(31-2)6-13(16)25)22(10,30)21-20(29)19(28)17(26)14(7-23)32-21/h3-6,14,17,19-21,23-26,28-30H,7H2,1-2H3/t14-,17-,19+,20-,21-,22-/m1/s1
Other Databases Link
PubChem:71681569

  Structure

  2D Structure
  3D Structure

  Classification 

(data sourced from ClassyFire)

Kingdom: Organic compounds
    Superclass: Benzenoids
        Class: Anthracenes
            Subclass: NA

  Crops containing this metabolite

fig
grape

  Metabolite Spectrum Accession Label

FIG00050p
GRA00004p