PRATENSEIN-7-O-BETA-D-GLUCOSIDE-6''-O-MALONATE
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Name
PRATENSEIN-7-O-BETA-D-GLUCOSIDE-6''-O-MALONATE
IUPAC name
3-oxo-3-(((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-((5-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)propanoic acid
SMILES
COC1=C(C=C(C=C1)C3=COC2=CC(=CC(=C2C3=O)O)O[C@@H]4[C@H]([C@@H]([C@H]([C@H](COC(CC(=O)O)=O)O4)O)O)O)O
Molecular formula
C25H24O14
Molecular weight
548.45 g/mol
Monoisotopic mass
548.1166 Da
Pathway:
Superclass:
Class:
Glycoside:
Yes
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Trifolium pratense L. subsp. pratense | flower | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|
| Trifolium pratense L. subsp. pratense | leaf | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|