Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1[C@H]2CC(=O)C(CCC=C)[C@@H]([C@H]([C@H]2OC1=O)C(=O)OC)C(=O)OC

InChIKey

InChIKey=UMUMSOBOIDKOHL-HVUGMSMJSA-N

Formula

C19H24O9

Mass

396.392

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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 - Xanthane sesquiterpenoid - Tetracarboxylic acid or derivatives - Gamma butyrolactone - 1,3-dicarbonyl compound - Oxolane - Methyl ester - Carboxylic acid ester - Ketone - Lactone - Cyclic ketone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Carbonyl group - Organic oxygen compound - 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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