TRANS-CAFFEOYLARBUTIN
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 162987845
Name
TRANS-CAFFEOYLARBUTIN
IUPAC name
((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)tetrahydro-2H-pyran-2-yl)methyl (E)-3-(3,4-dihydroxyphenyl)acrylate
SMILES
C1=CC(=CC=C1O)O[C@@H]3[C@H]([C@@H]([C@H]([C@H](COC(C=CC2=CC=C(C(=C2)O)O)=O)O3)O)O)O
Molecular formula
C21H22O10
Molecular weight
434.40 g/mol
Monoisotopic mass
434.1213 Da
Pathway:
Superclass:
Class:
Glycoside:
Yes
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Pyrus communis L. subsp. pyraster (L.) Ehrh. | - | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|