Structure Information
Structure

Compound Identification

SMILES

C[C@](N)(CC1=CC(O)=C(O)C=C1)C(O)=O.COC1=CC(CC2=CN=C(N)N=C2N)=CC(OC)=C1OC

InChIKey

InChIKey=ROZMNJYUPZQAES-CICJTZRQSA-N

Formula

C24H31N5O7

Mass

501.54

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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 - D-alpha-amino acid - Amphetamine or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Phenylpropane - Phenol ether - Methoxybenzene - Catechol - Phenoxy compound - Anisole - Phenol - Aralkylamine - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Aminopyrimidine - Pyrimidine - Benzenoid - Imidolactam - Monocyclic benzene moiety - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Azacycle - Carboxylic acid - Primary amine - Primary aliphatic amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organooxygen compound - Amine - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic 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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