Compound Identification
SMILES
CCO[C@@H]1C2=C(O[C@H](C3=CC(OC)=C(OC)C=C3)[C@]1(O)CC([O-])=O)C=C(OC)C=C2
InChIKey
InChIKey=OXBJDYDLBGRPJU-YPAWHYETSA-M
Formula
C22H25O8
Mass
417.435
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
O-methylated flavonoids
- Level 5 7-O-methylated flavonoids
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Subclass
O-methylated flavonoids
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Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
O-methylated flavonoids
Intermediate Tree Nodes
Not available
Direct Parent
7-O-methylated flavonoids
Alternative Parents
3'-O-methylated flavonoids 4'-O-methylated flavonoids 3-hydroxyflavonoids Flavans 1-benzopyrans Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Tertiary alcohols Carboxylic acid salts Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3p-methoxyflavonoid-skeleton - 4p-methoxyflavonoid-skeleton - 7-methoxyflavonoid-skeleton - 3-hydroxyflavonoid - Hydroxyflavonoid - Flavan - O-dimethoxybenzene - Dimethoxybenzene - Chromane - 1-benzopyran - Benzopyran - Phenoxy compound - Methoxybenzene - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Carboxylic acid salt - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic oxide - Alcohol - Hydrocarbon derivative - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone.
External Descriptors
Not available