Met000542: Hydroxytyrosol 1-O-glucoside
Metabolite Information
Name
Hydroxytyrosol 1-O-glucoside
IUPAC Name
(2R,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Formula
C14H20O8
Molecular Weight
316.3
Exact Mass
316.1158176
SMILES
C1=CC(=C(C=C1CCOC2C(C(C(C(O2)CO)O)O)O)O)O
InChIKey
PQQITYGQJLPDFC-RKQHYHRCSA-N
InChI
InChI=1S/C14H20O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-4-3-7-1-2-8(16)9(17)5-7/h1-2,5,10-20H,3-4,6H2/t10-,11-,12+,13-,14-/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
banana
blueberry
chestnut
kiwifruit
okra
peach
perilla
taro
blueberry
chestnut
kiwifruit
okra
peach
perilla
taro
Metabolite Spectrum Accession Label