Compound Identification
SMILES
COC1=CC(=CC(OC)=C1O)C1=C(O[C@@H]2OC(COC(=O)CC(O)=O)[C@@H](O)[C@H](O)C2O)C=C2C(O)=CC(O[C@@H]3OC(COC(=O)CC(O)=O)[C@@H](O)[C@H](O)C3O)=CC2=[O+]1
InChIKey
InChIKey=MGXVJWFWNDVDSQ-VHGRVYBXSA-O
Formula
C35H39O23
Mass
827.673
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
-
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-3-O-glycosides Flavonoid-7-O-glycosides 3'-O-methylated flavonoids 5-hydroxyflavonoids 4'-hydroxyflavonoids Anthocyanidins Phenolic glycosides Tetracarboxylic acids and derivatives O-glycosyl compounds Dimethoxybenzenes 1-benzopyrans Methoxyphenols Phenoxy compounds Anisoles 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Oxanes 1,3-dicarbonyl compounds Monosaccharides Heteroaromatic compounds Secondary alcohols Carboxylic acid esters Polyols Oxacyclic compounds Carboxylic acids Acetals Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin-7-o-glycoside - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - Flavonoid-7-o-glycoside - 3p-methoxyflavonoid-skeleton - Hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Tetracarboxylic acid or derivatives - O-glycosyl compound - Glycosyl compound - M-dimethoxybenzene - Dimethoxybenzene - Benzopyran - 1-benzopyran - Methoxyphenol - Phenol ether - Anisole - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Oxane - Monosaccharide - Heteroaromatic compound - Carboxylic acid ester - Secondary alcohol - Ether - Carboxylic acid - Carboxylic acid derivative - Acetal - Polyol - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - 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 (LMPK12010406) : Anthocyanidins