Structure Information
Structure

Compound Identification

SMILES

C[C@@]12CC[C@@H]3[C@H](CC3(C)C)C(CCC1O2)=CC1=CC=CC=C1CN1O[C@@H]2[C@H]3OC(O[C@H]3[C@@H]3C[C@@]2([C@@H]1C(=O)O3)C(=O)NCCC(=O)NCCO)(C1=CC=CC=C1)C1=CC=CC=C1

InChIKey

InChIKey=DUQLRDWNAWCBFC-SJUNMFRRSA-N

Formula

C49H57N3O9

Mass

832.007

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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 - Caryophyllane sesquiterpenoid - Sesquiterpenoid - Alpha-amino acid ester - Diphenylmethane - Beta amino acid or derivatives - Alpha-amino acid or derivatives - N-acylethanolamine - Ketal - Delta valerolactone - Delta_valerolactone - Monocyclic benzene moiety - Benzenoid - Oxane - Meta-dioxolane - Isoxazolidine - Carboxamide group - Carboxylic acid ester - Lactone - Secondary carboxylic acid amide - Alkanolamine - Carboxylic acid derivative - Acetal - Oxacycle - Dialkyl ether - Azacycle - Oxirane - Ether - N-organohydroxylamine - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Primary alcohol - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Alcohol - Organic nitrogen compound - 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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