Compound Identification
SMILES
[OH-].C[C@@H]1O[C@@H](O[C@H]2[C@@H](OC3=C([O+]=C4C=C(O[C@@H]5O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]5O)C=C(O)C4=C3)C3=CC(O)=C(O)C(O)=C3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChIKey
InChIKey=IGKMKMOXNAVVLK-DIFIUSPISA-N
Formula
C36H44O25
Mass
876.723
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
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Level 6
Anthocyanins
- Level 7 Anthocyanidin-7-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-7-O-Glycosides
Alternative Parents
Anthocyanidin-3-O-glycosides Flavonoid-3-O-glycosides Flavonoid-7-O-glycosides 5-hydroxyflavonoids 4'-hydroxyflavonoids 3'-hydroxyflavonoids Anthocyanidins Phenolic glycosides O-glycosyl compounds Disaccharides 1-benzopyrans Pyrogallols and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzene and substituted derivatives 1,3-dicarbonyl compounds Dicarboxylic acids and derivatives Oxanes Heteroaromatic compounds Carboxylic acid esters Secondary alcohols Polyols Oxacyclic compounds Acetals Carboxylic acids Organic oxoanionic compounds Organic salts Organic oxides Primary alcohols Hydrocarbon derivatives Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin-7-o-glycoside - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - Flavonoid-7-o-glycoside - Hydroxyflavonoid - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - O-glycosyl compound - Glycosyl compound - Disaccharide - Benzopyran - 1-benzopyran - Pyrogallol derivative - Benzenetriol - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Oxane - Dicarboxylic acid or derivatives - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Secondary alcohol - Acetal - Carboxylic acid - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Polyol - Organic oxygen compound - Carbonyl group - Organic hydroxide - Organooxygen compound - Primary alcohol - Organic zwitterion - Alcohol - Organic salt - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as anthocyanidin-7-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C7-position.
External Descriptors
Not available