Compound Identification
SMILES
[Cl-].COC1=CC(=CC(O)=C1O)C1=C(OC2O[C@H](COC3O[C@@H](C)[C@H](OC(=O)\C=C\C4=CC=C(O)C=C4)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=C2C(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=CC2=[O+]1
InChIKey
InChIKey=DJFIFVQDAVMXSM-CWBWUJHASA-N
Formula
C43H49ClO23
Mass
969.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
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'-O-methylated flavonoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 7-hydroxyflavonoids Anthocyanidins Phenolic glycosides Coumaric acid esters Coumaric acids and derivatives Cinnamic acid esters Disaccharides O-glycosyl compounds 1-benzopyrans Methoxyphenols Methoxybenzenes Catechols Anisoles Phenoxy compounds Styrenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Fatty acid esters Oxanes Heteroaromatic compounds Enoate esters Secondary alcohols Monocarboxylic acids and derivatives Acetals Oxacyclic compounds Polyols Carbonyl compounds Organic chloride salts Organic oxides Organic zwitterions Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin-5-o-glycoside - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - 3p-methoxyflavonoid-skeleton - Hydroxyflavonoid - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 7-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Coumaric acid ester - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid or derivatives - Cinnamic acid ester - O-glycosyl compound - Glycosyl compound - Disaccharide - Methoxyphenol - 1-benzopyran - Benzopyran - Phenoxy compound - Methoxybenzene - Anisole - Phenol ether - Catechol - Styrene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Fatty acid ester - Oxane - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary alcohol - Carboxylic acid ester - Polyol - Ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Acetal - Oxacycle - Organoheterocyclic compound - Primary alcohol - Organic oxide - Organic salt - Organic chloride salt - Hydrocarbon derivative - Alcohol - Organic zwitterion - Organic oxygen compound - Organooxygen compound - Carbonyl group - 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