ALLOBETONICOSIDE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 162858357
Name
ALLOBETONICOSIDE
IUPAC name
(1S,4aR,7aR)-7-methyl-1,4a-bis(((2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4a,7a-dihydrocyclopenta[c]pyran-5(1H)-one
SMILES
[C@]12([C@H]([C@@H](OC=C1)O[C@@H]1O[C@@H]([C@H]([C@H]([C@@H]1O)O)O)CO)C(=CC2=O)C)O[C@@H]1O[C@@H]([C@H]([C@H]([C@@H]1O)O)O)CO
Molecular formula
C21H30O14
Molecular weight
506.46 g/mol
Monoisotopic mass
506.1636 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Betonica officinalis L. | aerial parts | 2867 ppm |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|