Compound Identification
SMILES
COC1=CC(C=CC(=O)OC[C@@H]2O[C@@H](OC3=CC(O)=C4C=C(O[C@@H]5O[C@H](COC(=O)CC(O)=O)[C@H](O)[C@H](O)[C@H]5O)C(=[O+]C4=C3)C3=CC=C(O)C(O[C@@H]4O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]4O)=C3)[C@@H](O)[C@@H](O)[C@H]2O)=CC=C1O
InChIKey
InChIKey=PNXAVCXVCDUMFM-GJSWVUAOSA-O
Formula
C46H51O27
Mass
1035.886
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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 7-O-p-coumaroyl glycosides - Anthocyanidin 7-O-p-coumaroyl glycosides
Direct Parent
Anthocyanidin 7-O-6-p-coumaroyl glycosides
Alternative Parents
Anthocyanin-3'-O-glycosides Anthocyanidin-7-O-Glycosides Anthocyanidin-3-O-glycosides Flavonoid-7-O-glycosides Flavonoid-3-O-glycosides 5-hydroxyflavonoids 4'-hydroxyflavonoids Anthocyanidins Phenolic glycosides Coumaric acids and derivatives Cinnamic acid esters O-glycosyl compounds Methoxyphenols 1-benzopyrans Tricarboxylic acids and derivatives Styrenes Phenoxy compounds Methoxybenzenes Anisoles Fatty acid esters Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxanes Monosaccharides 1,3-dicarbonyl compounds Heteroaromatic compounds Enoate esters Secondary alcohols Polyols Oxacyclic compounds Carboxylic acids Acetals Primary alcohols Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin 7-o-6-p-coumaroyl-glycoside - Anthocyanin - Anthocyanidin-7-o-glycoside - Anthocyanidin-3p-o-glycoside - Anthocyanidin-3-o-glycoside - Flavonoid-7-o-glycoside - Flavonoid-3-o-glycoside - Hydroxyflavonoid - 5-hydroxyflavonoid - 4'-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Cinnamic acid ester - Hydroxycinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid or derivatives - O-glycosyl compound - Glycosyl compound - 1-benzopyran - Methoxyphenol - Benzopyran - Tricarboxylic acid or derivatives - Phenoxy compound - Methoxybenzene - Styrene - Phenol ether - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty acid ester - Alkyl aryl ether - Fatty acyl - Benzenoid - 1,3-dicarbonyl compound - Oxane - Monosaccharide - Monocyclic benzene moiety - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary alcohol - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Carboxylic acid - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as anthocyanidin 7-o-6-p-coumaroyl glycosides. These are anthocyanidin 7-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