Compound Identification
SMILES
OC1C(COC(=O)\C=C\C2=CC(O)=C(O)C=C2)OC(OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C(O)=C2)C1O
InChIKey
InChIKey=BHLBNEUDVGRJGM-UHFFFAOYSA-O
Formula
C29H25O14
Mass
597.504
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 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'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Anthocyanidins Cinnamic acid esters Coumaric acids and derivatives O-glycosyl compounds 1-benzopyrans Pentoses Pyrogallols and derivatives Styrenes Catechols Fatty acid esters 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxolanes Heteroaromatic compounds Enoate esters Secondary alcohols 1,2-diols Acetals Monocarboxylic acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin 3-o-6-p-coumaroyl-glycoside - Anthocyanin - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - 5-hydroxyflavonoid - 7-hydroxyflavonoid - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - Hydroxyflavonoid - Anthocyanidin - Hydroxycinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid ester - Cinnamic acid or derivatives - O-glycosyl compound - Glycosyl compound - Benzopyran - Pentose monosaccharide - 1-benzopyran - Pyrogallol derivative - Benzenetriol - Catechol - Styrene - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Monosaccharide - Oxolane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - 1,2-diol - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Alcohol - Organic oxide - Carbonyl group - 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