Compound Identification
SMILES
OCC1OC(OC2=C(O)C=C(\C=C\C(=O)OCC3OC(OC4=C(O)C=C(\C=C\C(=O)OCC5OC(OC6=CC7=C(C=CC=C7OC7OC(COC(O)CC(O)=O)C(O)C(O)C7O)[O+]=C6C6=CC(O)=C(O)C(O)=C6)C(O)C(O)C5O)C=C4)C(O)C(O)C3O)C=C2)C(O)C(O)C1O
InChIKey
InChIKey=OQHAZKKIIVGLJT-JMQWPVDRSA-O
Formula
C60H67O35
Mass
1348.16
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
Flavonoid glycosides
- Level 5 Flavonoid O-glycosides
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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 - 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 4'-hydroxyflavonoids 3'-hydroxyflavonoids Anthocyanidins Phenolic glycosides Cinnamic acid esters Coumaric acids and derivatives O-glycosyl compounds 1-benzopyrans Pyrogallols and derivatives Tricarboxylic acids and derivatives Phenoxy compounds Phenol ethers Styrenes 1-hydroxy-2-unsubstituted benzenoids Fatty acid esters Beta hydroxy acids and derivatives 1-hydroxy-4-unsubstituted benzenoids Oxanes Monosaccharides Heteroaromatic compounds Enoate esters Secondary alcohols Hemiacetals Carboxylic acids Acetals Oxacyclic compounds Polyols Carbonyl compounds Hydrocarbon derivatives Primary alcohols Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin 3-o-6-p-coumaroyl-glycoside - Anthocyanidin-5-o-glycoside - Anthocyanin - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - Hydroxyflavonoid - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Coumaric acid or derivatives - Cinnamic acid or derivatives - Cinnamic acid ester - Hydroxycinnamic acid or derivatives - O-glycosyl compound - Glycosyl compound - 1-benzopyran - Benzopyran - Tricarboxylic acid or derivatives - Benzenetriol - Pyrogallol derivative - Styrene - Phenoxy compound - Phenol ether - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Beta-hydroxy acid - Monosaccharide - Oxane - Benzenoid - Hydroxy acid - Fatty acyl - Monocyclic benzene moiety - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Secondary alcohol - Hemiacetal - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Acetal - Organoheterocyclic compound - Polyol - 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 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