Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(NC(=O)COC(=O)C=CC2=CC3=C(OCO3)C=C2)SC(C)=C1C

InChIKey

InChIKey=PFHHDVKCSYIBJA-UHFFFAOYSA-N

Formula

C21H21NO7S

Mass

431.46

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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 carboxylic acid or derivatives - N-arylamide - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Heteroaromatic compound - Thiophene - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - 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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