Met000208: Barlerin
Metabolite Information
Name
Barlerin
IUPAC Name
methyl (1S,4aS,5R,7S,7aS)-7-acetyloxy-5-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
Molecular Formula
C19H28O12
Molecular Weight
448.4
Exact Mass
448.1580763
SMILES
CC(=O)OC1(CC(C2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O)C
InChIKey
ARFRZOLTIRQFCI-NGQYDJQZSA-N
InChI
InChI=1S/C19H28O12/c1-7(21)31-19(2)4-9(22)11-8(16(26)27-3)6-28-17(12(11)19)30-18-15(25)14(24)13(23)10(5-20)29-18/h6,9-15,17-18,20,22-25H,4-5H2,1-3H3/t9-,10-,11+,12-,13-,14+,15-,17+,18+,19+/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
blueberry
broad_bean
cabbage
fig
lettuce
parsley
pea
spinach
watermelon
broad_bean
cabbage
fig
lettuce
parsley
pea
spinach
watermelon
Metabolite Spectrum Accession Label