Mid009446: Phlorigidoside B
Metabolite Information
Name
Phlorigidoside B
IUPAC Name
methyl (1S,4aR,5R,7S,7aS)-7-acetyloxy-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Molecular Formula
C19H28O13
Molecular Weight
464.4
Exact Mass
464.1529909
SMILES
CC(=O)OC1(CC(C2(C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O)O)C
InChIKey
HTOSOQRDFDYOGW-OKJPHAGLSA-N
InChI
InChI=1S/C19H28O13/c1-7(21)32-18(2)4-10(22)19(27)8(15(26)28-3)6-29-17(14(18)19)31-16-13(25)12(24)11(23)9(5-20)30-16/h6,9-14,16-17,20,22-25,27H,4-5H2,1-3H3/t9-,10-,11-,12+,13-,14-,16+,17+,18+,19-/m1/s1
Other Databases Link
knapsack_C00037621
Structure
2D Structure
3D Conformer
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Lipids and lipid-like molecules
Class:
Prenol lipids
Subclass:
Terpene glycosides
Species containing this metabolite
| Ardisia japonica | Coffea arabica | Platycodon grandiflorus | Selaginella moellendorffii |
Metabolite Spectrum Accession Label