Compound Identification
SMILES
CCCC1=C(OCC(O)COC2=C(CCC)C3=C(C=C2)C(=O)C=C(O3)C([O-])=O)C=CC(C(C)=O)=C1O
InChIKey
InChIKey=LMQBMWHHGVZWMR-UHFFFAOYSA-M
Formula
C27H29O9
Mass
497.521
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
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Level 5
Ketones
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Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
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Level 6
Aryl ketones
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Level 5
Ketones
-
Subclass
Carbonyl compounds
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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
Chromones Acetophenones Phenylpropanes Aryl alkyl ketones Benzoyl derivatives Phenol ethers Phenoxy compounds 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Pyranones and derivatives Heteroaromatic compounds Vinylogous acids Secondary alcohols Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Oxacyclic compounds Organic oxides Hydrocarbon derivatives Aldehydes Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Chromone - 1-benzopyran - Benzopyran - Phenylpropane - Acetophenone - Benzoyl - Phenoxy compound - Aryl alkyl ketone - Phenol ether - Alkyl aryl ether - Pyranone - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous acid - Carboxylic acid salt - Secondary alcohol - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Alcohol - Organic oxide - Hydrocarbon derivative - Aldehyde - Organic anion - 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