Structure Information
Structure

Compound Identification

SMILES

[H]\C(CC(C)C)=C(\[H])[C@@]([H])(C)C(\[H])=C(/[H])\C(\[H])=C(/C)[C@@]1([H])[C@@]([H])(O)C=C(CN2CCS(=O)(=O)C[C@]3([H])C(=O)[C@]([H])(O)[C@@]([H])(C(C)=C([H])C(\[H])=C(/[H])[C@@]([H])(C)C(\[H])=C(/[H])CC(C)C)[C@@]([H])(OC(C)=O)[C@@]23[H])C(=O)[C@]1([H])O

InChIKey

InChIKey=WDGHVYJKVQZOLD-MNGGIFOVSA-N

Formula

C44H65NO9S

Mass

784.06

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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

Aliphatic heteropolycyclic compounds

Substituents

Sesquiterpenoid - Bisabolane sesquiterpenoid - Cyclohexenone - Cyclic alcohol - Sulfone - Amino acid or derivatives - Carboxylic acid ester - Ketone - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Cyclic ketone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Organic oxygen compound - Alcohol - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Aliphatic 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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