Met009237: Ligurobustoside A
Metabolite Information
Name
Ligurobustoside A
IUPAC Name
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol
Molecular Formula
C22H38O10
Molecular Weight
462.5
Exact Mass
462.2464974
SMILES
CC1C(C(C(C(O1)OC2C(C(OC(C2O)OCC=C(C)CCC=C(C)C)CO)O)O)O)O
InChIKey
SLALVIKCRMJJBY-YMFNIGFMSA-N
InChI
InChI=1S/C22H38O10/c1-11(2)6-5-7-12(3)8-9-29-21-19(28)20(16(25)14(10-23)31-21)32-22-18(27)17(26)15(24)13(4)30-22/h6,8,13-28H,5,7,9-10H2,1-4H3/b12-8+/t13-,14+,15-,16+,17+,18+,19+,20-,21+,22-/m0/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
s_miltiorrhiza
bittermelon
blueberry
ginger
mung_bean
peach
bittermelon
blueberry
ginger
mung_bean
peach
Metabolite Spectrum Accession Label