Structure Information
Structure

Compound Identification

SMILES

CC(=C)[C@]12C[C@@H]3[C@@]1(COC(=O)C1=CC=CC=C1)[C@@H]1O[C@@]2(C)C[C@]3(O1)C#N

InChIKey

InChIKey=OXWZODIBYLPVDP-ZMDWJTHYSA-N

Formula

C21H21NO4

Mass

351.402

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Monoterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Bicyclic monoterpenoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Aromatic monoterpenoid - Benzoate ester - Pinane monoterpenoid - Benzoic acid or derivatives - Benzoyl - Furofuran - Oxepane - Meta-dioxane - Monocyclic benzene moiety - Benzenoid - Oxolane - Carboxylic acid ester - Acetal - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organopnictogen compound - Cyanide - Organic oxide - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.

External Descriptors

Not available

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