Structure Information
Structure

Compound Identification

SMILES

[Ca++].[O-]C(=O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)CC1=CC=CC=C1.[O-]C(=O)[C@H](CC(=O)N1C[C@@H]2CCCC[C@H]2C1)CC1=CC=CC=C1

InChIKey

InChIKey=PMRVFZXOCRHXFE-MTIMSJFKSA-L

Formula

C38H48CaN2O6

Mass

668.888

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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 - Isoindole or derivatives - Isoindole - Isoindoline - N-acylpyrrolidine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Pyrrolidine - Carboxylic acid salt - Tertiary amine - Amino acid - Carboxamide group - Amino acid or derivatives - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Organic calcium salt - Azacycle - Carboxylic acid derivative - Amine - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - 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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