Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C1OCC2OC(OC3=CC=CC(=C3)C(C)=O)C(NC(C)=O)C(OCC(O)=O)C2O1
InChIKey
InChIKey=CGTDNUYRSYGNOX-UHFFFAOYSA-N
Formula
C27H31NO11
Mass
545.541
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
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Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Pyranodioxins Dimethoxybenzenes Acetophenones Phenoxy compounds Anisoles Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Monosaccharides Oxanes 1,3-dioxanes Acetamides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Oxacyclic compounds Acetals Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Aldehydes Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Pyranodioxin - Dimethoxybenzene - O-dimethoxybenzene - Acetophenone - Anisole - Benzoyl - Phenol ether - Phenoxy compound - Aryl alkyl ketone - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Meta-dioxane - Oxane - Monosaccharide - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Acetal - Organoheterocyclic compound - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Aldehyde - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available