Met002598: Chaenorrhinoside
Metabolite Information
Name
Chaenorrhinoside
IUPAC Name
(5S,6R)-6-hydroxy-7-methylidene-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydrocyclopenta[c]pyran-1-one
Molecular Formula
C15H18O9
Molecular Weight
342.3
Exact Mass
342.0950822
SMILES
C=C1C(C(C2=C1C(=O)OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O
InChIKey
LDXOVBQGKFTZBZ-HQOSZKHYSA-N
InChI
InChI=1S/C15H18O9/c1-5-8-6(2-3-22-14(8)21)13(9(5)17)24-15-12(20)11(19)10(18)7(4-16)23-15/h2-3,7,9-13,15-20H,1,4H2/t7-,9-,10-,11+,12-,13+,15+/m1/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organic oxygen compounds
Class:
Organooxygen compounds
Subclass:
Carbohydrates and carbohydrate conjugates
Crops containing this metabolite
s_miltiorrhiza
leonurus
banana
pear
potato
tomato
leonurus
banana
pear
potato
tomato
Metabolite Spectrum Accession Label