Met000676: 10-Dehydrogardenoside
Metabolite Information
Name
10-Dehydrogardenoside
IUPAC Name
methyl (1S,4aR,7R,7aS)-7-formyl-7-hydroxy-1-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate
Molecular Formula
C17H22O11
Molecular Weight
402.3
Exact Mass
402.1162115
SMILES
COC(=O)C1=COC(C2C1C=CC2(C=O)O)OC3C(C(C(C(O3)CO)O)O)O
InChIKey
KUPAPVWGAYWLHS-MJUVBZGXSA-N
InChI
InChI=1S/C17H22O11/c1-25-14(23)8-5-26-15(10-7(8)2-3-17(10,24)6-19)28-16-13(22)12(21)11(20)9(4-18)27-16/h2-3,5-7,9-13,15-16,18,20-22,24H,4H2,1H3/t7-,9-,10+,11+,12+,13-,15-,16-,17-/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
Metabolite Spectrum Accession Label