Compound Identification
SMILES
COC1=C([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)=C2C=CC(=[O+]C2=C1)C1=CC=C(O)C=C1
InChIKey
InChIKey=KFHZWZHXXDKSFC-OSKXVONFSA-O
Formula
C22H23O9
Mass
431.416
Taxonomic Classification
Taxonomy Tree
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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
- 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
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavonoid glycosides
Intermediate Tree Nodes
Flavonoid O-glycosides
Direct Parent
Anthocyanins
Alternative Parents
Flavonoid C-glycosides 7-O-methylated flavonoids 5-hydroxyflavonoids 4'-hydroxyflavonoids Anthocyanidins Phenolic glycosides Hexoses C-glycosyl compounds 1-benzopyrans Anisoles 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Oxanes Benzene and substituted derivatives Heteroaromatic compounds Secondary alcohols Polyols Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives Primary alcohols Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin-6-c-glycoside - Anthocyanin - Flavonoid c-glycoside - 7-methoxyflavonoid-skeleton - Hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Hexose monosaccharide - Glycosyl compound - C-glycosyl compound - 1-benzopyran - Benzopyran - Anisole - Phenol ether - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Oxane - Monosaccharide - Heteroaromatic compound - Secondary alcohol - Dialkyl ether - Polyol - Organoheterocyclic compound - Oxacycle - Ether - Primary alcohol - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as anthocyanins. These are organic compounds containing a flavylium ion or 2-phenylchromenylium based skeleton bound to a sugar.
External Descriptors
Not available