Met001535: Phenethyl rutinoside
Metabolite Information
Name
Phenethyl rutinoside
IUPAC Name
2-methyl-6-[[3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
Molecular Formula
C20H30O10
Molecular Weight
430.4
Exact Mass
430.1838972
SMILES
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC=CC=C3)O)O)O)O)O)O
InChIKey
OKUGUNDXBGUFPA-UHFFFAOYSA-N
InChI
InChI=1S/C20H30O10/c1-10-13(21)15(23)17(25)20(29-10)28-9-12-14(22)16(24)18(26)19(30-12)27-8-7-11-5-3-2-4-6-11/h2-6,10,12-26H,7-9H2,1H3
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
asparagus
banana
citrus
garlic
kidney_bean
kiwifruit
lettuce
mango
mung_bean
perilla
potato
spinach
watermelon
banana
citrus
garlic
kidney_bean
kiwifruit
lettuce
mango
mung_bean
perilla
potato
spinach
watermelon
Metabolite Spectrum Accession Label