Compound Identification
SMILES
OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](COC(=O)CC(O)=O)O[C@@H](OC3=C([O+]=C4C=C(O)C=C(O)C4=C3)C3=CC(O)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=XXFRPBJBDCHDPB-JALHFSQLSA-O
Formula
C36H43O24
Mass
859.715
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
Anthocyanin-4'-O-glycosides Flavonoid-3-O-glycosides 7-hydroxyflavonoids 3'-hydroxyflavonoids 5-hydroxyflavonoids Anthocyanidins Phenolic glycosides Fatty acyl glycosides of mono- and disaccharides Alkyl glycosides Disaccharides O-glycosyl compounds 1-benzopyrans Phenoxy compounds Phenol ethers 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Oxanes Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Heteroaromatic compounds Carboxylic acid esters Secondary alcohols Polyols Oxacyclic compounds Carboxylic acids Acetals Hydrocarbon derivatives Primary alcohols Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin-4p-o-glycoside - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - Hydroxyflavonoid - 3'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Anthocyanidin - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Phenolic glycoside - Alkyl glycoside - Disaccharide - O-glycosyl compound - Glycosyl compound - Benzopyran - 1-benzopyran - Phenol ether - Phenoxy compound - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - 1,3-dicarbonyl compound - Oxane - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Polyol - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Primary alcohol - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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