Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1C2C3C4C(SC5=C(C=C(C=C5)[N+]([O-])=O)[N+]([O-])=O)C3C3C4C2OC(=O)C13

InChIKey

InChIKey=WPGNIHSQHIDLBP-UHFFFAOYSA-N

Formula

C19H16N2O8S

Mass

432.4

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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

Not available

Direct Parent

Terpene lactones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Terpene lactone - Aromatic monoterpenoid - Monoterpenoid - Norbornane monoterpenoid - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Delta valerolactone - Delta_valerolactone - Alkylarylthioether - Dicarboxylic acid or derivatives - Oxane - Monocyclic benzene moiety - Benzenoid - Methyl ester - Carboxylic acid ester - Organic nitro compound - Lactone - C-nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Oxacycle - Sulfenyl compound - Organic oxoazanium - Thioether - Organic salt - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.

External Descriptors

Not available

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