Met005737: Lappaol B

  Metabolite Information

Name
Lappaol B
IUPAC Name
(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl]oxolan-2-one
Molecular Formula
C31H34O9
Molecular Weight
550.6
Exact Mass
550.2202827
SMILES
COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC4=C(C(=C3)OC)OC(C4CO)C5=CC(=C(C=C5)O)OC)OC
InChIKey
KNSPNZVXPUCWMJ-WHNHDLKRSA-N
InChI
InChI=1S/C31H34O9/c1-35-25-8-5-17(12-27(25)37-3)9-20-16-39-31(34)21(20)10-18-11-22-23(15-32)29(40-30(22)28(13-18)38-4)19-6-7-24(33)26(14-19)36-2/h5-8,11-14,20-21,23,29,32-33H,9-10,15-16H2,1-4H3/t20-,21+,23-,29+/m0/s1
Other Databases Link
PubChem:46173977

  Structure

  2D Structure
  3D Structure

  Classification 

(data sourced from ClassyFire)

Kingdom: Organic compounds
    Superclass: Phenylpropanoids and polyketides
        Class: 2-arylbenzofuran flavonoids
            Subclass: NA

  Crops containing this metabolite

ginger

  Metabolite Spectrum Accession Label

GIN00014p