Met008565: Furocoumarinic acid glucoside
Metabolite Information
Name
Furocoumarinic acid glucoside
IUPAC Name
(E)-3-[6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-5-yl]prop-2-enoic acid
Molecular Formula
C17H18O9
Molecular Weight
366.3
Exact Mass
366.0950822
SMILES
C1=COC2=CC(=C(C=C21)C=CC(=O)O)OC3C(C(C(C(O3)CO)O)O)O
InChIKey
XRLPSAYLYDMYGX-OWOJBTEDSA-N
InChI
InChI=1S/C17H18O9/c18-7-12-14(21)15(22)16(23)17(26-12)25-11-6-10-9(3-4-24-10)5-8(11)1-2-13(19)20/h1-6,12,14-18,21-23H,7H2,(H,19,20)/b2-1+
Other Databases Link
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
cauliflower
fig
fig
Metabolite Spectrum Accession Label