Structure Information
Structure

Compound Identification

SMILES

NC(=O)C1=C(NC(=O)COC(=O)C=CC2=CC3=C(OCO3)C=C2)SC2=C1CCC2

InChIKey

InChIKey=LUTCMEGTGYJKLA-UHFFFAOYSA-N

Formula

C20H18N2O6S

Mass

414.43

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Hydroxycinnamic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Coumaric acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coumaric acid or derivatives - Cinnamic acid ester - Benzodioxole - Styrene - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - N-arylamide - Fatty acid ester - Fatty acyl - Benzenoid - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiophene - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Primary carboxylic acid amide - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.

External Descriptors

Not available

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