Compound Identification
SMILES
COC1=C(O)C=CC(=C1)C1=C(O[C@@H]2O[C@@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@@H]2O)C=C2C(O)=CC(O)=CC2=[O+]1
InChIKey
InChIKey=CKJPGRXYFVEMFF-HLOYXIQTSA-O
Formula
C25H25O14
Mass
549.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Flavonoids
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Subclass
Flavonoid glycosides
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Level 5
Flavonoid O-glycosides
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Level 6
Anthocyanins
- Level 7 Anthocyanidin-3-O-glycosides
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Level 6
Anthocyanins
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Level 5
Flavonoid O-glycosides
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Subclass
Flavonoid glycosides
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Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavonoid glycosides
Intermediate Tree Nodes
Flavonoid O-glycosides - Anthocyanins
Direct Parent
Anthocyanidin-3-O-glycosides
Alternative Parents
Flavonoid-3-O-glycosides 3'-O-methylated flavonoids 7-hydroxyflavonoids 5-hydroxyflavonoids 4'-hydroxyflavonoids Anthocyanidins O-glycosyl compounds Methoxyphenols 1-benzopyrans Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxanes Monosaccharides Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Heteroaromatic compounds Secondary alcohols Carboxylic acid esters Polyols Oxacyclic compounds Carboxylic acids Acetals Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - 3p-methoxyflavonoid-skeleton - Hydroxyflavonoid - 7-hydroxyflavonoid - 5-hydroxyflavonoid - 4'-hydroxyflavonoid - Anthocyanidin - O-glycosyl compound - Glycosyl compound - 1-benzopyran - Methoxyphenol - Benzopyran - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Benzenoid - 1,3-dicarbonyl compound - Oxane - Monosaccharide - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Carboxylic acid - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as anthocyanidin-3-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position.
External Descriptors
Not available