Compound Identification
SMILES
[Cl-].OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](OC(=O)\C=C\C5=CC=C(O)C=C5)[C@H]4O)C=C23)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=HANLPYGUHBXOFP-SZHIZQAYSA-N
Formula
C42H47ClO24
Mass
971.26
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
-
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'-hydroxyflavonoids 4'-hydroxyflavonoids 7-hydroxyflavonoids Anthocyanidins Phenolic glycosides Coumaric acid esters Coumaric acids and derivatives Cinnamic acid esters O-glycosyl compounds Disaccharides 1-benzopyrans Pyrogallols and derivatives Styrenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Fatty acid esters Oxanes Heteroaromatic compounds Enoate esters Secondary alcohols Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Polyols Hydrocarbon derivatives Organic zwitterions Organic oxides Primary alcohols Organic chloride salts Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin-3-o-glycoside - Anthocyanidin-5-o-glycoside - Flavonoid-3-o-glycoside - Hydroxyflavonoid - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 7-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Coumaric acid ester - Cinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid ester - Hydroxycinnamic acid or derivatives - O-glycosyl compound - Disaccharide - Glycosyl compound - Benzopyran - 1-benzopyran - Pyrogallol derivative - Benzenetriol - Styrene - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Oxane - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - Acetal - Monocarboxylic acid or derivatives - Polyol - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organic chloride salt - Organooxygen compound - Alcohol - Carbonyl group - Primary alcohol - Organic zwitterion - Organic salt - Hydrocarbon derivative - 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
Not available