Compound Identification
SMILES
CC=CC(O)=O.OCC(CO)(CO)CO.O=C1OC(=O)C2=CC=CC=C12.CCCCCC=CCC=CCCCCCCCC(O)=O
InChIKey
InChIKey=NUJJNTQXMRWXEC-UHFFFAOYSA-N
Formula
C35H54O11
Mass
650.806
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
- Subclass Lineolic acids and derivatives
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Class
Fatty Acyls
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Lineolic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Lineolic acids and derivatives
Alternative Parents
Long-chain fatty acids Phthalic anhydrides Isobenzofuranones Unsaturated fatty acids Straight chain fatty acids Benzenoids Carboxylic acid anhydrides Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Octadecanoid - Long-chain fatty acid - Phthalic_anhydride - Phthalic anhydride - Benzofuranone - Isobenzofuranone - Isocoumaran - Fatty acid - Straight chain fatty acid - Unsaturated fatty acid - Benzenoid - Carboxylic acid anhydride - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Primary alcohol - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions.
External Descriptors
Not available