Compound Identification
SMILES
OC[C@H]1OC(OC2=C(OC3=CC(=O)C=C(OC4O[C@H](COC(=O)\C=C\C5=CC(O)=C(O)C=C5)[C@@H](O)[C@H](O)[C@H]4O)C3=C2)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=VTWOPKBMTQPNDB-NRIRRYGSSA-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
-
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 5-O-p-coumaroyl glycosides
Alternative Parents
Flavonoid-3-O-glycosides 3'-hydroxyflavonoids 4'-hydroxyflavonoids Phenolic glycosides Cinnamic acid esters Coumaric acids and derivatives O-glycosyl compounds 1-benzopyrans Pyrogallols and derivatives Styrenes Catechols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Fatty acid esters Oxanes Monosaccharides Enoate esters Vinylogous esters Heteroaromatic compounds Cyclic ketones Secondary alcohols Monocarboxylic acids and derivatives Polyols Acetals Oxacyclic compounds Hydrocarbon derivatives Organic oxides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid 5-o-6-p-coumaroyl-glycoside - Flavonoid-3-o-glycoside - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - Hydroxyflavonoid - Phenolic glycoside - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Benzenetriol - Pyrogallol derivative - Catechol - Styrene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Monosaccharide - Oxane - Vinylogous ester - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary alcohol - Carboxylic acid ester - Cyclic ketone - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Oxacycle - Acetal - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Organooxygen compound - Organic oxide - Primary alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavonoid 5-o-p-coumaroyl glycosides. These are flavonoid 5-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
Not available