Compound Identification
SMILES
COC1=C(O)C=CC(=C1)C1=C(O[C@@H]2OC(COC(=O)\C=C\C3=CC(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)=C(O)C=C3)[C@@H](O)C(O)C2O)C=C2C(O)=CC(O)=CC2=[O+]1
InChIKey
InChIKey=JHIYKFHGLOTJLX-JWAGZAIVSA-O
Formula
C37H39O19
Mass
787.699
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
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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-3-O-glycosides Flavonoid-3-O-glycosides 3'-O-methylated flavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Anthocyanidins Phenolic glycosides Coumaric acids and derivatives Cinnamic acid esters O-glycosyl compounds 1-benzopyrans Methoxyphenols Anisoles Methoxybenzenes Phenoxy compounds Styrenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Fatty acid esters Monosaccharides Oxanes Enoate esters Heteroaromatic compounds Secondary alcohols Monocarboxylic acids and derivatives Acetals Oxacyclic compounds Polyols Carbonyl compounds Organic oxides Hydrocarbon derivatives Primary alcohols Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin 3-o-6-p-coumaroyl-glycoside - Anthocyanin - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - 3p-methoxyflavonoid-skeleton - 7-hydroxyflavonoid - Hydroxyflavonoid - 5-hydroxyflavonoid - 4'-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Cinnamic acid ester - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Glycosyl compound - O-glycosyl compound - Benzopyran - Methoxyphenol - 1-benzopyran - Styrene - Phenol ether - Anisole - Phenoxy compound - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Fatty acid ester - 1-hydroxy-4-unsubstituted benzenoid - Oxane - Monocyclic benzene moiety - Fatty acyl - Monosaccharide - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Carboxylic acid ester - Secondary alcohol - Ether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Organoheterocyclic compound - Oxacycle - Polyol - Primary alcohol - Carbonyl group - Organic oxide - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organooxygen compound - 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
LIPIDMAPS (LMPK12010246) : Anthocyanidins