Compound Identification
SMILES
CC(C)C1=C(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)C(=C(S1)C1=CC=CC=C1)C1=CC=C(F)C=C1
InChIKey
InChIKey=JINWNWAVDADLDL-DDVDASKDSA-N
Formula
C26H27FO4S
Mass
454.56
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Hydroxy acids and derivatives
Subclass
Medium-chain hydroxy acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Medium-chain hydroxy acids and derivatives
Alternative Parents
Medium-chain fatty acids Beta hydroxy acids and derivatives Hydroxy fatty acids Heterocyclic fatty acids Halogenated fatty acids Fluorobenzenes Unsaturated fatty acids Aryl fluorides Thiophenes Heteroaromatic compounds Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Medium-chain hydroxy acid - Medium-chain fatty acid - Hydroxy fatty acid - Heterocyclic fatty acid - Halogenated fatty acid - Halobenzene - Fluorobenzene - Beta-hydroxy acid - Aryl halide - Unsaturated fatty acid - Benzenoid - Aryl fluoride - Fatty acid - Fatty acyl - Monocyclic benzene moiety - Thiophene - Heteroaromatic compound - Secondary alcohol - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.
External Descriptors
Not available