Structure Information
Structure

Compound Identification

SMILES

CC(O)CC[C@H]1[C@@H]2C[C@H]3[C@@H](C[C@]12C)OC(=O)C3=C

InChIKey

InChIKey=MTIXBBDFRVGBOQ-WQFFSLPPSA-N

Formula

C15H22O3

Mass

250.338

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Terpene lactones

Intermediate Tree Nodes

Sesquiterpene lactones

Direct Parent

Xanthanolides

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Xanthanolide-skeleton - Sesquiterpenoid - Carabrane sesquiterpenoid - Gamma butyrolactone - Oxolane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Lactone - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Carbonyl group - Organic oxide - Organooxygen compound - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as xanthanolides. These are sesquiterpenoids with a structure based on the xanthanolide skeleton consistsing of a cycloheptane ring usually attached to a four-carbon chain (at carbon 1 ) and a methyl group (at carbon 10), and fused to a five-member lactone ring (sharing carbons 7 and 8). The lactone ring can be conjugated with a methyl or methylene group at position 11.

External Descriptors

Not available

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