Met004747: Methyl salicylate O-[rhamnosyl-(1->6)-glucoside]
Metabolite Information
Name
Methyl salicylate O-[rhamnosyl-(1->6)-glucoside]
IUPAC Name
methyl 2-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxybenzoate
Molecular Formula
C20H28O12
Molecular Weight
460.4
Exact Mass
460.1580763
SMILES
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC=CC=C3C(=O)OC)O)O)O)O)O)O
InChIKey
CTLIPTKQWTWERE-UHFFFAOYSA-N
InChI
InChI=1S/C20H28O12/c1-8-12(21)14(23)16(25)19(30-8)29-7-11-13(22)15(24)17(26)20(32-11)31-10-6-4-3-5-9(10)18(27)28-2/h3-6,8,11-17,19-26H,7H2,1-2H3
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
fig
peanut
spinach
peanut
spinach
Metabolite Spectrum Accession Label