Compound Identification
SMILES
O[C@@H]1CO[C@@H](OC2C(O)[C@H](O)C(COC(=O)CC(O)=O)O[C@H]2OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C=C2)[C@H](O)C1O
InChIKey
InChIKey=UHWGTKOMYAVSDE-PGPWQGOTSA-O
Formula
C29H31O18
Mass
667.548
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
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'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Anthocyanidins Disaccharides O-glycosyl compounds 1-benzopyrans Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 1,3-dicarbonyl compounds Dicarboxylic acids and derivatives Benzene and substituted derivatives Oxanes Heteroaromatic compounds Carboxylic acid esters Secondary alcohols Polyols Carboxylic acids Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Anthocyanidin - Disaccharide - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Catechol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Oxane - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - 1,3-dicarbonyl compound - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Polyol - Acetal - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - 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
LIPIDMAPS (LMPK12010192) : Anthocyanidins