Structure Information
Structure

Compound Identification

SMILES

C[C@@]12CCC(=O)C3=C1[C@@](O)(O[C@H]3O)C(=O)c1cc3c(O)ccc(OS(O)(=O)=O)c3cc21

InChIKey

InChIKey=QTDYRFPLHKXDHZ-HSALFYBXSA-N

Formula

C20H16O10S

Mass

448.4

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Sesquiterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Sesquiterpenoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Sesquiterpenoid - Phenanthrene - Naphthofuran - 1-naphthol - Butyrophenone - Arylsulfate - Tetralin - Naphthalene - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Sulfuric acid ester - Sulfate-ester - Sulfuric acid monoester - Hemiketal - Beta-hydroxy ketone - Acyloin - Alpha,beta-unsaturated ketone - Organic sulfuric acid or derivatives - Enone - Dihydrofuran - Alpha-hydroxy ketone - Acryloyl-group - Ketone - Oxacycle - Organoheterocyclic compound - Polyol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

External Descriptors

Not available

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