CYANIDIN-3-RUTINOSIDE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 441674
Name
CYANIDIN-3-RUTINOSIDE
IUPAC name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C([O+]=C4C=C(C=C(C4=C3)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
Molecular formula
C27H31O15+
Molecular weight
595.53 g/mol
Monoisotopic mass
595.1657 Da
Pathway:
Superclass:
Class:
Glycoside:
Yes
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Erodium cicutarium (L.) L'Hér. | flower | - |
Medrano, M.A., Frontera, M.A., Tomas, M.A. (1978). Anthocyanins in the flowers of Erodium cicutarium L. and Erodium malacoides L. An Asoc Quim Argent, 66(2), 107-108
|
| Rubus idaeus L. subsp. idaeus | - | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|