Compound Identification
SMILES
COC1=CC(C=CC(=O)O[C@H]2[C@H](O)CO[C@@H](O[C@H]3[C@H](O)[C@@H](COC(=O)\C=C\C4=CC=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C4)O[C@@H](OC4=CC(O)=CC5=[O+]C(=C(O[C@@H]6O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]6O)C=C45)C4=CC(O)=C(O)C=C4)[C@@H]3O)[C@@H]2O)=CC(OC)=C1O
InChIKey
InChIKey=MWEOFPSMYTZITA-IWSJIXRESA-O
Formula
C61H67O34
Mass
1344.172
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 5-O-p-coumaroyl glycosides - Anthocyanidin 5-O-p-coumaroyl glycosides
Direct Parent
Anthocyanidin 5-O-6-p-coumaroyl glycosides
Alternative Parents
Anthocyanidin-3-O-glycosides Anthocyanidin-5-O-glycosides Flavonoid-3-O-glycosides 3'-hydroxyflavonoids 4'-hydroxyflavonoids 7-hydroxyflavonoids Anthocyanidins Phenolic glycosides Tetracarboxylic acids and derivatives Cinnamic acid esters Coumaric acids and derivatives O-glycosyl compounds Disaccharides 1-benzopyrans Methoxyphenols Dimethoxybenzenes Styrenes Anisoles Phenoxy compounds Catechols Fatty acid esters 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Oxanes 1,3-dicarbonyl compounds Enoate esters Heteroaromatic compounds Secondary alcohols Acetals Polyols Carboxylic acids Oxacyclic compounds Primary alcohols Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin 5-o-6-p-coumaroyl-glycoside - Anthocyanidin-5-o-glycoside - Anthocyanin - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - Hydroxyflavonoid - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 7-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Tetracarboxylic acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid ester - O-glycosyl compound - Glycosyl compound - Disaccharide - Dimethoxybenzene - Benzopyran - Methoxyphenol - M-dimethoxybenzene - 1-benzopyran - Phenol ether - Styrene - Anisole - Catechol - Phenoxy compound - Methoxybenzene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Alkyl aryl ether - Phenol - 1,3-dicarbonyl compound - Oxane - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid - Ether - Oxacycle - Polyol - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Carbonyl group - Organooxygen compound - Primary alcohol - Alcohol - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as anthocyanidin 5-o-6-p-coumaroyl glycosides. These are anthocyanidin 5-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