Structure Information
Structure

Compound Identification

SMILES

CCC(O)(CC)C1=CC(OCC2=CC(O)=C(C=C2)C(=CC(O)=O)C2=COC=C2)=CC(F)=C1

InChIKey

InChIKey=VTUJAPQNGOIEHL-UHFFFAOYSA-N

Formula

C25H25FO6

Mass

440.467

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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

Hydroxycinnamic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Cinnamic acid - Coumaric acid - Coumaric acid or derivatives - Hydroxycinnamic acid - Phenylpropane - Phenoxy compound - Phenol ether - Styrene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Fluorobenzene - Halobenzene - Phenol - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Furan - Heteroaromatic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Ether - Carboxylic acid - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxygen compound - Organofluoride - Organooxygen compound - Aromatic alcohol - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as hydroxycinnamic acids. These are compounds containing an cinnamic acid where the benzene ring is hydroxylated.

External Descriptors

Not available

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