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Structure Information
Structure

Compound Identification

SMILES

COC1=C2OC=C(C)C2=C(COC(=O)C(C)=CC)C2=C1C=CCC2C

InChIKey

InChIKey=ITGQMLUIQUJILK-UHFFFAOYSA-N

Formula

C21H24O4

Mass

340.419

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Sesquiterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Furoeremophilane sesquiterpenoid - Naphthofuran - Naphthalene - Benzofuran - Anisole - Phenol ether - Alkyl aryl ether - Fatty acid ester - Fatty acyl - Benzenoid - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Furan - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids. These are sesquiterpenoids with a structure based either on the eremophilane skeleton, its 8,9-seco derivative, or the furoeremophilane skeleton. Eremophilanes have been shown to be derived from eudesmanes by migration of the methyl group at C-10 to C-5.

External Descriptors

Not available

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