Compound Identification
SMILES
[O-][N+](=O)OCC[C@]12[C@H](I)[C@H]3[C@H]4C[C@@H]5[C@@H]([C@H](I)[C@H]1[C@@H]35)[C@H]24
InChIKey
InChIKey=KTJQNBGHXAEKPY-WFUPWENPSA-N
Formula
C13H15I2NO3
Mass
487.076
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Sesquiterpenoids
-
Level 5
Triquinane sesquiterpenoids
- Level 6 Linear triquinanes
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Level 5
Triquinane sesquiterpenoids
-
Subclass
Sesquiterpenoids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Sesquiterpenoids
Intermediate Tree Nodes
Triquinane sesquiterpenoids
Direct Parent
Linear triquinanes
Alternative Parents
Alkyl nitrates Organic nitro compounds Organic nitric acids and derivatives Organooxygen compounds Organoiodides Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Alkyl iodides
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Linear triquinane sesquiterpenoid - Alkyl nitrate - Organic nitrate - Organic nitro compound - Organic nitric acid or derivatives - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organohalogen compound - Alkyl iodide - Alkyl halide - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as linear triquinanes. These are triquinane with a structure based on a [6.3.0.0^2,6] undecane carbon skeleton.
External Descriptors
Not available