MELILOTIGENIN
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 14059503
Name
MELILOTIGENIN
IUPAC name
(2S,4aR,6aS,6bR,9S,10S,12aR,12bR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-4-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
SMILES
C[C@]12CC[C@@H]([C@](C1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4C[C@](CC5=O)(C)C(=O)O)C)C)C)(C)CO)O
Molecular formula
C30H46O5
Molecular weight
486.69 g/mol
Monoisotopic mass
486.3345 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Trigonella officinalis (L.) Coulot & Rabaute | flower | 63 ppm |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|