Compound Identification
SMILES
COC1=C(OC(=O)CC(C)C)C=CC(=C1)C1=C(OC)C(=O)C2=C(O)C=C(O)C=C2O1
InChIKey
InChIKey=ZQXNTAIEPXSPBP-UHFFFAOYSA-N
Formula
C22H22O8
Mass
414.41
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
O-methylated flavonoids
- Level 5 3-O-methylated flavonoids
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Subclass
O-methylated flavonoids
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Class
Flavonoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
O-methylated flavonoids
Intermediate Tree Nodes
Not available
Direct Parent
3-O-methylated flavonoids
Alternative Parents
3'-O-methylated flavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Flavones 3-methoxychromones Phenol esters Phenoxy compounds Methoxybenzenes Anisoles Pyranones and derivatives Fatty acid esters 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Heteroaromatic compounds Vinylogous acids Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-methoxyflavonoid-skeleton - 3p-methoxyflavonoid-skeleton - Hydroxyflavonoid - Flavone - 7-hydroxyflavonoid - 5-hydroxyflavonoid - 3-methoxychromone - Chromone - Benzopyran - 1-benzopyran - Phenol ester - Phenol ether - Methoxybenzene - Anisole - Phenoxy compound - Phenol - Alkyl aryl ether - Fatty acid ester - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Pyran - Vinylogous acid - Heteroaromatic compound - Carboxylic acid ester - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C3 atom of the flavonoid backbone.
External Descriptors
LIPIDMAPS (LMPK12112742) : Flavones and Flavonols