Compound Identification
SMILES
OCC1O[C@@H](OC2=CC=C(C=C2)C(=O)OCC2O[C@@H](OC3=CC4=[O+]C(=C(O[C@@H]5OC(COC(=O)CC(O)=O)[C@@H](O)[C@H](O)C5O)C=C4C(O)=C3)C3=CC=C(O)C=C3)C(O)[C@@H](O)[C@@H]2O)C(O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=BVWDUTYWOIINQI-YAPAWHFYSA-O
Formula
C43H47O25
Mass
963.823
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
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 4'-hydroxyflavonoids 5-hydroxyflavonoids Anthocyanidins Phenolic glycosides O-glycosyl compounds 1-benzopyrans Benzoic acid esters Tricarboxylic acids and derivatives Phenoxy compounds Phenol ethers Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 1,3-dicarbonyl compounds Oxanes Monosaccharides Heteroaromatic compounds Secondary alcohols Carboxylic acid esters Acetals Oxacyclic compounds Polyols Carboxylic acids Hydrocarbon derivatives Primary alcohols Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin-3-o-glycoside - Anthocyanidin-7-o-glycoside - Flavonoid-3-o-glycoside - Flavonoid-7-o-glycoside - Hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - O-glycosyl compound - Glycosyl compound - 1-benzopyran - Benzoate ester - Benzopyran - Tricarboxylic acid or derivatives - Benzoic acid or derivatives - Phenol ether - Benzoyl - Phenoxy compound - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - 1,3-dicarbonyl compound - Monosaccharide - Oxane - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Polyol - Acetal - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Primary alcohol - Alcohol - 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 (LMPK12010086) : Anthocyanidins