Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1N=C(O[C@H]1C(=O)O[C@H]1C[C@@H]2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3[C@H](CC2=C)OC(=O)[C@@]2(C)CO2)[C@@]11CO1)c1ccccc1

InChIKey

InChIKey=WWSQABNQPVORAN-GIQAYKMLSA-N

Formula

C30H31NO9

Mass

549.576

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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

Guaianolides and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Guaianolide-skeleton - Sesquiterpenoid - Guaiane sesquiterpenoid - Tricarboxylic acid or derivatives - Benzenoid - Oxirane carboxylic acid or derivatives - Oxirane carboxylic acid - Gamma butyrolactone - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Oxazoline - Lactone - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as guaianolides and derivatives. These are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative.

External Descriptors

Not available

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