Compound Identification
SMILES
COC1=CC(=CC(OC)=C1O)C1=C(O[C@@H]2O[C@H](CO[C@@H]3OC(C)[C@H](OC(=O)CC(O)=O)C(O)[C@@H]3O)[C@@H](O)C(O)C2O)C=C2C(O[C@@H]3OC(COC(=O)CC(O)=O)[C@@H](O)[C@H](O)C3O)=CC(O)=CC2=[O+]1
InChIKey
InChIKey=DKMCQLLKQIUMOU-ROWQXFHFSA-O
Formula
C41H49O27
Mass
973.815
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
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Subclass
Flavonoid glycosides
-
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
-
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 3'-O-methylated flavonoids 4'-hydroxyflavonoids 7-hydroxyflavonoids Anthocyanidins Phenolic glycosides Tetracarboxylic acids and derivatives O-glycosyl compounds Disaccharides 1-benzopyrans Methoxyphenols Dimethoxybenzenes Phenoxy compounds Anisoles 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Oxanes 1,3-dicarbonyl compounds Heteroaromatic compounds Carboxylic acid esters Secondary alcohols Acetals Oxacyclic compounds Polyols Carboxylic acids Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin-5-o-glycoside - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - 3p-methoxyflavonoid-skeleton - Hydroxyflavonoid - 4'-hydroxyflavonoid - 7-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Tetracarboxylic acid or derivatives - O-glycosyl compound - Glycosyl compound - Disaccharide - 1-benzopyran - Benzopyran - Methoxyphenol - M-dimethoxybenzene - Dimethoxybenzene - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Oxane - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Acetal - Polyol - Ether - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Alcohol - Organic oxide - 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 (LMPK12010400) : Anthocyanidins