Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC(=O)CCC2CCC(CC2)(C2=C(F)C=CC(F)=C2)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F)C=CC(\C=C\C(=O)OCCCCO[N+]([O-])=O)=C1

InChIKey

InChIKey=UASDZIYPRNTVKI-MKMNVTDBSA-N

Formula

C36H36F5NO10S

Mass

769.73

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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 homomonocyclic compounds

Substituents

Coumaric acid or derivatives - Cinnamic acid ester - Phenol ester - Trifluoromethylbenzene - Benzenesulfonyl group - Anisole - Methoxybenzene - Phenol ether - Phenoxy compound - Styrene - Halobenzene - Fatty acid ester - Alkyl aryl ether - Fluorobenzene - Aryl fluoride - Aryl halide - Fatty acyl - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Sulfone - Sulfonyl - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Alkyl nitrate - Organic nitrate - Organic nitro compound - Carboxylic acid ester - Organic nitric acid or derivatives - Carboxylic acid derivative - Organic 1,3-dipolar compound - Ether - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Alkyl halide - Organic nitrogen compound - Alkyl fluoride - Organofluoride - Carbonyl group - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organohalogen compound - Organic cation - Aromatic homomonocyclic 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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