Compound Identification
SMILES
OCC1O[C@@H](OC2=CC3=[O+]C(=C(O[C@@H]4OC(COC(=O)CC(O)=O)[C@@H](O)[C@H](O)C4O)C=C3C(O)=C2)C2=CC=C(O)C=C2)C(O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=FWXROQWVMFXBGG-BENQLBHSSA-O
Formula
C30H33O18
Mass
681.575
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-7-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-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 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzene and substituted derivatives 1,3-dicarbonyl compounds Dicarboxylic acids and derivatives Monosaccharides Oxanes Heteroaromatic compounds Secondary alcohols Carboxylic acid esters Polyols Oxacyclic compounds Acetals 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-7-o-glycoside - Flavonoid-3-o-glycoside - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Monosaccharide - 1,3-dicarbonyl compound - Oxane - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Polyol - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Acetal - Carboxylic acid - Organic oxygen compound - Primary alcohol - Alcohol - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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 (LMPK12010084) : Anthocyanidins