Structure Information
Structure

Compound Identification

SMILES

C[C@@H](O)[C@@H]1[C@H]2CC(=C(N2C1=O)C([O-])=O)C1=CC=C(C[N+]2=CC=C(N)C=C2)C=C1

InChIKey

InChIKey=BGIDOYOPACJTAD-NXOUGTEYSA-N

Formula

C21H21N3O4

Mass

379.416

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Cinnamic acids

Intermediate Tree Nodes

Not available

Direct Parent

Cinnamic acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cinnamic acid - Carbapenem - 3-phenylpyrroline - Alpha-amino acid or derivatives - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Azepine - Aminopyridine - Benzenoid - Monocyclic benzene moiety - Pyridine - Pyridinium - Beta-lactam - Tertiary carboxylic acid amide - Pyrroline - Heteroaromatic compound - Pyrrole - Carboxamide group - Lactam - Carboxylic acid salt - Amino acid - Azetidine - Amino acid or derivatives - Secondary alcohol - Tertiary amine - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alcohol - Organonitrogen compound - Organooxygen compound - Primary amine - Organic zwitterion - Organic salt - Hydrocarbon derivative - Amine - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.

External Descriptors

Not available

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