Met004361: Griselinoside
Metabolite Information
Name
Griselinoside
IUPAC Name
dimethyl (1R,4aR,7R,7aR)-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4,7-dicarboxylate
Molecular Formula
C18H24O12
Molecular Weight
432.4
Exact Mass
432.1267762
SMILES
COC(=O)C1CC(=O)C2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O
InChIKey
USONHTFDCJKLKO-PHAJAEPKSA-N
InChI
InChI=1S/C18H24O12/c1-26-15(24)6-3-8(20)10-7(16(25)27-2)5-28-17(11(6)10)30-18-14(23)13(22)12(21)9(4-19)29-18/h5-6,9-14,17-19,21-23H,3-4H2,1-2H3/t6-,9-,10-,11+,12-,13+,14-,17-,18+/m1/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Lipids and lipid-like molecules
Class:
Prenol lipids
Subclass:
Terpene glycosides
Crops containing this metabolite
bittermelon
carrot
cauliflower
chickpea
kidney_bean
lentil
parsley
pea
peanut
perilla
carrot
cauliflower
chickpea
kidney_bean
lentil
parsley
pea
peanut
perilla
Metabolite Spectrum Accession Label