Structure Information
Structure

Compound Identification

SMILES

NC(CCCN=C(N)N)C(O)=O.CCOC(CC1=CC=C(NCCCC2CCC3=C(C2)C=CC(OS(C)(=O)=O)=C3)C=C1)C(O)=O

InChIKey

InChIKey=LOSHRHWUESMRSW-UHFFFAOYSA-N

Formula

C31H47N5O8S

Mass

649.8

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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 - Alpha-amino acid - Alpha-amino acid or derivatives - Tetralin - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Aralkylamine - Sulfonic acid ester - Monocyclic benzene moiety - Fatty acid - Organosulfonic acid ester - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Methanesulfonate - Guanidine - Amino acid - Amino acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboximidamide - Secondary amine - Organic oxide - Amine - Hydrocarbon derivative - Primary aliphatic amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Primary amine - Organic oxygen compound - Aromatic homopolycyclic 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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