CYANIDIN-3-O-(6''-O-(MALONYL)-2''-O-BETA-D-GLUCURONYL)-BETA-D-GLUCOSIDE)
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 23724737
Name
CYANIDIN-3-O-(6''-O-(MALONYL)-2''-O-BETA-D-GLUCURONYL)-BETA-D-GLUCOSIDE)
IUPAC name
3-(((2S,3R,4S,5S,6R)-3-(((2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-6-((2-carboxyacetoxy)methyl)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium
SMILES
C1=CC(=C(C=C1C3=C(C=C2C(=CC(=CC2=[O+]3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(CC(=O)O)=O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O5)O)O)O)O)O
Molecular formula
C30H31O20+
Molecular weight
711.56 g/mol
Monoisotopic mass
711.1403 Da
Pathway:
Superclass:
Class:
Glycoside:
Yes
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Bellis perennis L. | flower | - |
Toki, K., Saito, N., Honda, T. (1991). Three cyanidin 3-glucuronylglucosides from red flowers of Bellis perennis. Phytochemistry, 30(11), 3769-3771 doi:10.1016/0031-9422(91)80107-c
|