MELILOTIN
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 131751575
Name
MELILOTIN
IUPAC name
6,6'-((((8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-2,3-diyl)bis(oxy))bis(4,5-dihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-6,3-diyl))bis(oxy))bis(2-methyltetrahydro-2H-pyran-3,4,5-triol)
SMILES
CC1OC(OC2C(CO)OC(OC3CC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(CO)CCC54C)C(C)(C)C3OC3OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
Molecular formula
C54H90O21
Molecular weight
1,075.29 g/mol
Monoisotopic mass
1,074.5975 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Trigonella officinalis (L.) Coulot & Rabaute | leaf | - |
Bisset, N.G., ed. 1994. Herbal Drugs and Phytopharmaceuticals. CRC Press. Boca Raton, FL. 566 pp.
|