Met008653: p-hydroxybenzoyl glucose
Metabolite Information
Name
p-hydroxybenzoyl glucose
IUPAC Name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 4-hydroxybenzoate
Molecular Formula
C13H16O8
Molecular Weight
300.26
Exact Mass
300.0845175
SMILES
C1=CC(=CC=C1C(=O)OC2C(C(C(C(O2)CO)O)O)O)O
InChIKey
XWTGDGASXRARSP-HMUNZLOLSA-N
InChI
InChI=1S/C13H16O8/c14-5-8-9(16)10(17)11(18)13(20-8)21-12(19)6-1-3-7(15)4-2-6/h1-4,8-11,13-18H,5H2/t8-,9-,10+,11-,13+/m1/s1
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
s_miltiorrhiza
leonurus
papaya
leonurus
papaya
Metabolite Spectrum Accession Label