Compound Identification
SMILES
OCC1O[C@@H](OC2[C@@H](O)[C@H](O)C(COC(=O)\C=C\C3=CC(O)=C(O)C=C3)O[C@H]2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=MNQXYDTZVQQBJH-VHUBIZTASA-N
Formula
C36H36O20
Mass
788.664
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 Flavones 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Cinnamic acid esters Coumaric acids and derivatives Chromones Disaccharides O-glycosyl compounds Catechols Styrenes Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Fatty acid esters Oxanes Vinylogous acids Enoate esters Heteroaromatic compounds Secondary alcohols Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Primary alcohols Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid 3-o-6-p-coumaroyl-glycoside - Flavonoid-3-o-glycoside - Hydroxyflavonoid - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavone - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Cinnamic acid or derivatives - Coumaric acid or derivatives - O-glycosyl compound - Glycosyl compound - Chromone - Disaccharide - 1-benzopyran - Benzopyran - Styrene - Catechol - Phenol - Pyranone - 1-hydroxy-4-unsubstituted benzenoid - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Pyran - Oxane - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous acid - Secondary alcohol - Carboxylic acid ester - Acetal - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Polyol - Oxacycle - Organooxygen compound - Organic oxygen compound - Alcohol - Primary alcohol - Carbonyl group - Organic oxide - Hydrocarbon derivative - 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 (LMPK12110575) : Flavones and Flavonols