Compound Identification
SMILES
CC(C)=CCC(C(C)=O)C(=O)O[C@H]1[C@H](O[C@@H]2OC(C)(C)O[C@H]12)[C@H]1COC(C)(C)O1
InChIKey
InChIKey=MKGZAOWMYBPKLV-ZRAUNAMOSA-N
Formula
C21H32O8
Mass
412.479
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Keto acids and derivatives
- Subclass Beta-keto acids and derivatives
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Class
Keto acids and derivatives
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Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Keto acids and derivatives
Subclass
Beta-keto acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Beta-keto acids and derivatives
Alternative Parents
Ketals Fatty acid esters Monosaccharides 1,3-dicarbonyl compounds Oxolanes 1,3-dioxolanes Ketones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Beta-keto acid - Ketal - Fatty acid ester - Monosaccharide - 1,3-dicarbonyl compound - Fatty acyl - Oxolane - Meta-dioxolane - Ketone - Carboxylic acid ester - Organoheterocyclic compound - Acetal - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Aldehyde - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom.
External Descriptors
Not available