Structure Information
Structure

Compound Identification

SMILES

C[C@H]1CCCC(=O)CCC\C=C\C2=CC(O)=CC(O)=C2C(=O)O1

InChIKey

InChIKey=MBMQEIFVQACCCH-QBODLPLBSA-N

Formula

C18H22O5

Mass

318.369

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Macrolides and analogues

Subclass

Zearalenones

Intermediate Tree Nodes

Not available

Direct Parent

Zearalenones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Zearalenone-skeleton - Dihydroxybenzoic acid - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Vinylogous acid - Carboxylic acid ester - Ketone - Lactone - Cyclic ketone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as zearalenones. These are macrolides which contains a fourteen-member lactone fused to 1,3-dihydroxybenzene.

External Descriptors

CHEBI:10106 : resorcinols - macrolide
LIPIDMAPS (LMPK04000016) : Macrolides and lactone polyketides
KEGG (C09981) : Macrolides and lactone polyketides - Mycotoxins

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