Compound Identification
SMILES
CC1(OC(=O)C(=O)CC1=O)C1=CC=CC=C1
InChIKey
InChIKey=GDKOBJLHXQAZLT-UHFFFAOYSA-N
Formula
C12H10O4
Mass
218.208
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Keto acids and derivatives
-
Subclass
Gamma-keto acids and derivatives
- Level 5 3-Acylpyruvic acids
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Subclass
Gamma-keto acids and derivatives
-
Class
Keto acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Keto acids and derivatives
Subclass
Gamma-keto acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
3-Acylpyruvic acids
Alternative Parents
Delta valerolactones Beta-diketones Alpha-acyloxy ketones Oxanes Benzene and substituted derivatives Cyclic ketones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-acylpyruvic acid - Delta valerolactone - Delta_valerolactone - Alpha-acyloxy ketone - 1,3-diketone - Oxane - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Ketone - Lactone - Cyclic ketone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organic oxygen compound - Aldehyde - Organic oxide - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-acylpyruvic acids. These are compounds containing a pyruvic acid substituted at the 3-position by an acyl group.
External Descriptors
Not available