Compound Identification
SMILES
CC(=O)OCC1O[C@@H](OC2=CC(O)=CC3=[O+]C(=C(O[C@@H]4OC(COC(=O)CC(O)=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=ZSWZCQVZLNDROK-QPZCVUNBSA-O
Formula
C32H35O19
Mass
723.612
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
-
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 Tricarboxylic acids and derivatives 1-hydroxy-2-unsubstituted benzenoids 1,3-dicarbonyl compounds Oxanes Monosaccharides Benzene and substituted derivatives Heteroaromatic compounds Secondary alcohols Carboxylic acid esters Carboxylic acids Acetals Oxacyclic compounds Polyols Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin-5-o-glycoside - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - Hydroxyflavonoid - 4'-hydroxyflavonoid - 7-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - O-glycosyl compound - Glycosyl compound - Benzopyran - 1-benzopyran - Tricarboxylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - 1,3-dicarbonyl compound - Monosaccharide - Oxane - Monocyclic benzene moiety - Heteroaromatic compound - Carboxylic acid ester - Secondary alcohol - Carboxylic acid - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Polyol - Organic oxygen compound - Organic oxide - Carbonyl group - Organooxygen compound - Alcohol - 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 (LMPK12010046) : Anthocyanidins