5-EPIDEOXYLOGANIC-ACID
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 158940
Name
5-EPIDEOXYLOGANIC-ACID
IUPAC name
(1R,4aR,7S,7aS)-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
SMILES
C[C@H]1CC[C@@H]2[C@H]1[C@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Molecular formula
C16H24O9
Molecular weight
360.36 g/mol
Monoisotopic mass
360.1420 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Nepeta cataria L. | - | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|