Structure Information
Structure

Compound Identification

SMILES

[Mg++].CCOC(CC1=CC=C(OCCN2C(CC)=NC3=CC=CC=C3C2=O)C=C1)C([O-])=O.CCOC(CC1=CC=C(OCCN2C(CC)=NC3=CC=CC=C3C2=O)C=C1)C([O-])=O

InChIKey

InChIKey=IDLFHYIDADWWPH-UHFFFAOYSA-L

Formula

C46H50MgN4O10

Mass

843.229

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Phenylpropanoic acids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpropanoic acids

Alternative Parents

Molecular Framework

Not available

Substituents

3-phenylpropanoic-acid - Quinazoline - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Carboxylic acid salt - Lactam - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic salt - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.

External Descriptors

Not available

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