Compound Identification
SMILES
[Na+].COC1=CC=C(C=C1)C(=O)CC(=O)C1=CC=CC=C1C([O-])=O
InChIKey
InChIKey=FHCDLYNDBCITOR-UHFFFAOYSA-M
Formula
C17H13NaO5
Mass
320.276
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Linear 1,3-diarylpropanoids
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Subclass
Chalcones and dihydrochalcones
- Level 5 Retro-dihydrochalcones
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Subclass
Chalcones and dihydrochalcones
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Class
Linear 1,3-diarylpropanoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Chalcones and dihydrochalcones
Intermediate Tree Nodes
Not available
Direct Parent
Retro-dihydrochalcones
Alternative Parents
Alkyl-phenylketones Butyrophenones Benzoic acids Phenoxy compounds Anisoles Methoxybenzenes Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Beta-diketones Carboxylic acid salts Carboxylic acids Hydrocarbon derivatives Organic oxides Organic sodium salts Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Benzoic acid - Benzoic acid or derivatives - Phenylketone - Methoxybenzene - Benzoyl - Aryl alkyl ketone - Aryl ketone - Phenoxy compound - Phenol ether - Anisole - 1,3-diketone - Alkyl aryl ether - Benzenoid - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Carboxylic acid salt - Ketone - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Ether - Organic salt - Organic sodium salt - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as retro-dihydrochalcones. These are a form of normal dihydrochalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors
Not available