Structure Information
Structure

Compound Identification

SMILES

CC1=C2CC(=O)OC(C3=COC=C3)C2(C)CCC1C12COC(=O)CC1OC(C)(C)C2CC([O-])=O

InChIKey

InChIKey=NLNLACOJSWLNHE-UHFFFAOYSA-M

Formula

C26H31O8

Mass

471.527

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Triterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Limonoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Limonoid skeleton - Deoxylimonoic acid skeleton - Benzopyran - Tricarboxylic acid or derivatives - Delta_valerolactone - Delta valerolactone - Oxane - Heteroaromatic compound - Tetrahydrofuran - Furan - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic anion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as limonoids. These are highly oxygenated, modified terpenoids with a prototypical structure either containing or derived from a precursor with a 4,4,8-trimethyl-17-furanylsteroid skeleton. All naturally occurring citrus limonoids contain a furan ring attached to the D-ring, at C-17, as well as oxygen containing functional groups at C-3, C-4, C-7, C-16 and C-17.

External Descriptors

META CYC (DEOXYLIMONATE) : a small molecule

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