PETUNIDIN-3-RUTINOSIDE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 44256957
Name
PETUNIDIN-3-RUTINOSIDE
IUPAC name
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-(((2S,5S)-3,4,5-trihydroxy-6-((((2R,4S,5R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium
SMILES
CC1[C@@H]([C@@H](C([C@@H](O1)OCC2[C@H](C(C([C@@H](O2)OC3=C([O+]=C4C=C(C=C(C4=C3)O)O)C5=CC(=C(C(=C5)OC)O)O)O)O)O)O)O)O
Molecular formula
C28H33O16+
Molecular weight
625.56 g/mol
Monoisotopic mass
625.1763 Da
Pathway:
Superclass:
Class:
Glycoside:
Yes
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Morus alba L. | fruit | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|