Compound Identification
SMILES
COC1=C(O)C=CC(\C=C\C(=O)OC[C@H]2O[C@H](O[C@H]3[C@H](OC4=C([O+]=C5C=C(O)C=C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C5=C4)C4=CC(O)=C(O)C=C4)O[C@H](COC(=O)\C=C\C4=CC(O)=C(O)C=C4)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H](O)[C@@H]2O)=C1
InChIKey
InChIKey=CSWCMIODPBATKN-CQDHSGGCSA-O
Formula
C52H55O27
Mass
1111.984
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
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Subclass
Flavonoid glycosides
- 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 - Flavonoid 3-O-p-coumaroyl glycosides - Anthocyanidin 3-O-p-coumaroyl glycosides
Direct Parent
Anthocyanidin 3-O-6-p-coumaroyl glycosides
Alternative Parents
Anthocyanidin-5-O-glycosides Anthocyanidin-3-O-glycosides Flavonoid-3-O-glycosides 3'-hydroxyflavonoids 4'-hydroxyflavonoids 7-hydroxyflavonoids Anthocyanidins Phenolic glycosides Cinnamic acid esters Coumaric acids and derivatives Disaccharides O-glycosyl compounds 1-benzopyrans Methoxyphenols Styrenes Catechols Phenoxy compounds Methoxybenzenes Anisoles 1-hydroxy-4-unsubstituted benzenoids Fatty acid esters Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Dicarboxylic acids and derivatives Oxanes Heteroaromatic compounds Enoate esters Secondary alcohols Acetals Oxacyclic compounds Polyols Hydrocarbon derivatives Organic oxides Primary alcohols Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin 3-o-6-p-coumaroyl-glycoside - Anthocyanin - Anthocyanidin-5-o-glycoside - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - Hydroxyflavonoid - 3'-hydroxyflavonoid - 7-hydroxyflavonoid - 4'-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Cinnamic acid ester - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - O-glycosyl compound - Disaccharide - Glycosyl compound - Benzopyran - Methoxyphenol - 1-benzopyran - Styrene - Phenol ether - Anisole - Phenoxy compound - Catechol - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Fatty acid ester - Oxane - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Fatty acyl - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Polyol - Ether - Oxacycle - Acetal - Carbonyl group - Primary alcohol - Organic oxide - Organic oxygen compound - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as anthocyanidin 3-o-6-p-coumaroyl glycosides. These are anthocyanidin 3-O-glycosides where the carbohydrate moiety is esterified at the C6 position with a p-coumaric acid. P-coumaric acid is an organic derivative of cinnamic acid, that carries a hydroxyl group at the 4-position of the benzene ring.
External Descriptors
Not available