Name: Cyanidin 3-(6''-malonylglucoside)
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HIT ID:HIT218683192
Cas No:94977-38-5;171828-62-9
Common Name:Cyanidin 3-(6''-malonylglucoside)
Common Name:Cyanidin 3-(6''-malonylglucoside)
IUPAC:3-{[(2S,3R,4S,5S,6R)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium chloride
IUPAC:3-{[(2S,3R,4S,5S,6R)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium chloride
InChIKey:QCMBMEJGXIGLBJ-CVOPIXFLSA-N

Molecular Formula:C24H23ClO14
Molecular Weight:570.88
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:[Cl-].O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O
SMILES:[Cl-].O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O

Cyanidin 3-(6′′-malonylglucoside) (Compound 3), an anthocyanin, is isolated from the bulbs of Allium cepa L, commonly known as red onion ^[1].

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