Structure Information
Structure

Compound Identification

SMILES

CCCCC1=NC2=C(C=C1)[C@H]([C@H]([C@@H]2C1=C(CC(C)C(O)=O)C=C(OC)C=C1)C(O)=O)C1=CC2=C(OCO2)C=C1

InChIKey

InChIKey=IUHMIOAKWHUFKU-FNVHIOGBSA-N

Formula

C31H33NO7

Mass

531.605

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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

Aromatic heteropolycyclic compounds

Substituents

3-phenylpropanoic-acid - Benzodioxole - Phenylpropane - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Pyridine - Heteroaromatic compound - Acetal - Carboxylic acid derivative - Carboxylic acid - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Carbonyl group - 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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