Compound Identification
SMILES
CC1O[C@@H](OCC2O[C@@H](OC3=C([O+]=C4C=C(O[C@@H]5OC(COC(=O)C6=CC=C(O[C@@H]7OC(CO)[C@@H](O)[C@H](O)C7O)C=C6)[C@@H](O)[C@H](O)C5O)C=C(O)C4=C3)C3=CC=C(O)C=C3)C(O)[C@@H](O)[C@@H]2O)[C@@H](O)C(O)[C@H]1O
InChIKey
InChIKey=MUTUBHBFJGODGK-KINGRLQISA-O
Formula
C46H55O26
Mass
1023.919
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-7-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-7-O-Glycosides
Alternative Parents
Anthocyanidin-3-O-glycosides Flavonoid-7-O-glycosides Flavonoid-3-O-glycosides 4'-hydroxyflavonoids 5-hydroxyflavonoids Anthocyanidins Phenolic glycosides O-glycosyl compounds Disaccharides 1-benzopyrans Benzoic acid esters Phenoxy compounds Phenol ethers Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Oxanes Heteroaromatic compounds Carboxylic acid esters Secondary alcohols Monocarboxylic acids and derivatives Acetals Oxacyclic compounds Polyols Hydrocarbon derivatives Organic oxides Primary alcohols Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin-3-o-glycoside - Anthocyanidin-7-o-glycoside - Flavonoid-3-o-glycoside - Flavonoid-7-o-glycoside - Hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - O-glycosyl compound - Glycosyl compound - Disaccharide - 1-benzopyran - Benzopyran - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Phenol ether - Phenoxy compound - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Oxane - Heteroaromatic compound - Carboxylic acid ester - Secondary alcohol - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Primary alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Organic cation - 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
LIPIDMAPS (LMPK12010083) : Anthocyanidins