Compound Identification
SMILES
COC1=C(O)C2=C(OC(C3=CC(O)=C(O)C=C3)=C(O[C@@H]3OC[C@H](O)C(O)C3O)C2=O)C(OC)=C1O
InChIKey
InChIKey=QAQUOCKHGMWZDP-NNEKRHGLSA-N
Formula
C22H22O13
Mass
494.405
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Flavonoids
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Subclass
Flavonoid glycosides
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Level 5
Flavonoid O-glycosides
- Level 6 Flavonoid-3-O-glycosides
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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
Direct Parent
Flavonoid-3-O-glycosides
Alternative Parents
6-O-methylated flavonoids 8-O-methylated flavonoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Flavones Chromones O-glycosyl compounds Anisoles Catechols 1-hydroxy-4-unsubstituted benzenoids Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Oxanes Monosaccharides Benzene and substituted derivatives Vinylogous acids Heteroaromatic compounds Secondary alcohols Acetals Oxacyclic compounds Polyols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-3-o-glycoside - 8-methoxyflavonoid-skeleton - 6-methoxyflavonoid-skeleton - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - 3'-hydroxyflavonoid - Flavone - O-glycosyl compound - Glycosyl compound - Chromone - 1-benzopyran - Benzopyran - Anisole - Catechol - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Pyran - Oxane - Monosaccharide - Vinylogous acid - Heteroaromatic compound - Secondary alcohol - Acetal - Organoheterocyclic compound - Polyol - Ether - Oxacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position.
External Descriptors
LIPIDMAPS (LMPK12113323) : Flavones and Flavonols