Compound Identification
SMILES
CC(=O)OCC1O[C@@H](OC2=CC(O)=CC3=[O+]C(=C(O[C@@H]4OC(COC(C)=O)[C@@H](O)C(O)C4O)C=C23)C2=CC=C(O)C=C2)C(O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=MKERTHRUMOZXAQ-PNTQANCPSA-O
Formula
C31H35O17
Mass
679.603
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-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 4'-hydroxyflavonoids 7-hydroxyflavonoids Anthocyanidins Phenolic glycosides O-glycosyl compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids Oxanes Benzene and substituted derivatives Dicarboxylic acids and derivatives Monosaccharides Heteroaromatic compounds Carboxylic acid esters Secondary alcohols Polyols Acetals Oxacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin-3-o-glycoside - Anthocyanidin-5-o-glycoside - Flavonoid-3-o-glycoside - 4'-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Monosaccharide - Oxane - Heteroaromatic compound - Carboxylic acid ester - Secondary alcohol - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Polyol - Organic oxide - Carbonyl group - Organic oxygen compound - Alcohol - Organooxygen compound - Hydrocarbon derivative - 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
LIPIDMAPS (LMPK12010045) : Anthocyanidins