TRIFOSIDE-6''-O-MALONATE

Structure

2D structure of TRIFOSIDE-6''-O-MALONATE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 101010453

Names and identifiers

Name

TRIFOSIDE-6''-O-MALONATE

IUPAC name

3-oxo-3-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-(5-hydroxy-7-methoxy-4-oxo-4H-chromen-3-yl)phenoxy)tetrahydro-2H-pyran-2-yl)methoxy)propanoic acid

SMILES

COC1=CC2=C(C(=C1)O)C(C(=CO2)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(CC(=O)O)=O)O)O)O)=O

General information

Molecular formula

C25H24O13

Molecular weight

532.45 g/mol

Monoisotopic mass

532.1217 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

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.