Compound Identification
SMILES
COC(=O)C1=C(C(=O)OC)C2(Br)C(OC)(OC)C(OC)(OC)OC2(OC)C1(Br)C(=O)OC
InChIKey
InChIKey=RGIJPKZPSFTAJX-UHFFFAOYSA-N
Formula
C18H24Br2O12
Mass
592.186
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Monoterpenoids
- Level 5 Iridoids and derivatives
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Subclass
Monoterpenoids
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Monoterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Iridoids and derivatives
Alternative Parents
Bicyclic monoterpenoids Tricarboxylic acids and derivatives Ortho esters Ketals Carboxylic acid orthoesters Oxolanes Methyl esters Enoate esters Alpha-halocarboxylic acid derivatives Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
11-noriridane monoterpenoid - Bicyclic monoterpenoid - Tricarboxylic acid or derivatives - Carboxylic acid orthoester - Ketal - Ortho ester - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Oxolane - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Orthocarboxylic acid derivative - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Acetal - Oxacycle - Organic oxygen compound - Organohalogen compound - Organobromide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl bromide - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as iridoids and derivatives. These are monoterpenes containing a skeleton structurally characterized by the presence of a cylopentane fused to a pyran ( forming a 4,7-dimethylcyclopenta[c]pyran), or a derivative where the pentane moiety is open.
External Descriptors
Not available