Compound Identification
SMILES
COC1=CC(=CC(O)=C1O)C1=C(O[C@@H]2OC(CO)[C@@H](O)C(O)C2O)C=C2C(O)=CC(O)=CC2=[O+]1
InChIKey
InChIKey=CCQDWIRWKWIUKK-BMSZIAFZSA-O
Formula
C22H23O12
Mass
479.413
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
-
Subclass
Flavonoid glycosides
-
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 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Anthocyanidins Hexoses O-glycosyl compounds 1-benzopyrans Methoxyphenols Phenoxy compounds Anisoles Methoxybenzenes Catechols Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxanes Heteroaromatic compounds Secondary alcohols Polyols Acetals Oxacyclic compounds Primary alcohols Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - 3p-methoxyflavonoid-skeleton - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Anthocyanidin - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - 1-benzopyran - Benzopyran - Methoxyphenol - Catechol - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Oxane - Benzenoid - Monosaccharide - Heteroaromatic compound - Secondary alcohol - Polyol - Acetal - Organoheterocyclic compound - Ether - Oxacycle - Alcohol - Primary alcohol - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - 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
LIPIDMAPS (LMPK12010349) : Anthocyanidins