Compound Identification
SMILES
[H][C@@](O)(CC(=O)OC[C@@]1([H])O[C@@]([H])(OC2=CC3=C(C=C(O)C=C3O[C@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[O+]=C2C2=CC=C(O)C=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O)C(O)=O
InChIKey
InChIKey=SMHDYATYAVKKKH-QHWPDCTCSA-O
Formula
C31H35O19
Mass
711.601
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-5-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-5-O-glycosides
Alternative Parents
Anthocyanidin-3-O-glycosides Flavonoid-3-O-glycosides Saccharolipids 4'-hydroxyflavonoids 7-hydroxyflavonoids Anthocyanidins Phenolic glycosides O-glycosyl compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids Beta hydroxy acids and derivatives Fatty acid esters Monosaccharides Alpha hydroxy acids and derivatives Dicarboxylic acids and derivatives Oxanes Benzene and substituted derivatives Heteroaromatic compounds Carboxylic acid esters Secondary alcohols Polyols Acetals Carboxylic acids Oxacyclic compounds Organic oxides Primary alcohols Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin-5-o-glycoside - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - Saccharolipid - 4'-hydroxyflavonoid - Hydroxyflavonoid - 7-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Beta-hydroxy acid - Fatty acid ester - Phenol - Alpha-hydroxy acid - Monocyclic benzene moiety - Fatty acyl - Dicarboxylic acid or derivatives - Benzenoid - Hydroxy acid - Monosaccharide - Oxane - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Polyol - Oxacycle - Acetal - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Primary alcohol - Carbonyl group - Organic oxygen compound - Alcohol - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as anthocyanidin-5-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C5-position.
External Descriptors
Not available