Compound Identification
SMILES
CC1O[C@@H](OC2=CC(O)=C3C(OC(C4=CC(O)=C(O)C=C4)=C(O[C@@H]4OC(COC(=O)\C=C\C5=CC=C(O)C=C5)[C@@H](O)[C@H](O)C4O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)C3=O)=C2)[C@@H](O)C(O)[C@H]1O
InChIKey
InChIKey=YYBUGTDXSVDSBB-KEJUPEAOSA-N
Formula
C42H46O23
Mass
918.807
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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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
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavonoid glycosides
Intermediate Tree Nodes
Flavonoid O-glycosides
Direct Parent
Flavonoid 3-O-p-coumaroyl glycosides
Alternative Parents
Flavonoid-3-O-glycosides Flavonoid-7-O-glycosides 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Flavones Phenolic glycosides Coumaric acid esters Cinnamic acid esters Coumaric acids and derivatives Chromones Disaccharides O-glycosyl compounds Styrenes Catechols 1-hydroxy-2-unsubstituted benzenoids Fatty acid esters Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids Oxanes Vinylogous acids Heteroaromatic compounds Enoate esters Secondary alcohols Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Polyols Organic oxides Carbonyl compounds Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid 3-o-6-p-coumaroyl-glycoside - Flavonoid-3-o-glycoside - Flavonoid-7-o-glycoside - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Hydroxyflavonoid - Flavone - Phenolic glycoside - Coumaric acid ester - Cinnamic acid ester - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - O-glycosyl compound - Chromone - Disaccharide - Glycosyl compound - Benzopyran - 1-benzopyran - Catechol - Styrene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Pyranone - Oxane - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Pyran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Vinylogous acid - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Polyol - Oxacycle - Organic oxide - Primary alcohol - Carbonyl group - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavonoid 3-o-p-coumaroyl glycosides. These are flavonoid 3-O-glycosides where the carbohydrate moiety is esterified 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 (LMPK12112267) : Flavones and Flavonols