Compound Identification
SMILES
COC1O[C@@H]2CO[C@H](O[C@H]2[C@H](Br)[C@@H]1OC(=O)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=MJXQLQJMQFEVKK-MGRCVYSDSA-N
Formula
C21H21BrO6
Mass
449.297
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyranodioxins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyranodioxins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyranodioxins
Alternative Parents
Benzoic acid esters Benzoyl derivatives Oxanes Monosaccharides 1,3-dioxanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Pyranodioxin - Benzoic acid or derivatives - Benzoyl - Meta-dioxane - Monocyclic benzene moiety - Monosaccharide - Oxane - Benzenoid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Oxacycle - Organohalogen compound - Alkyl bromide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organooxygen compound - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyranodioxins. These are polycyclic compounds containing a pyranodioxin moiety, which consists of a pyran ring fused to a dioxin ring.
External Descriptors
Not available