Compound Identification
SMILES
COC1=CC=C(C=C1)C1=C(C(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)=C(S1)C(C)C)C1=CC=C(F)C=C1
InChIKey
InChIKey=RGKGLDUORXLGSC-PKGLBKFNSA-N
Formula
C27H29FO5S
Mass
484.58
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 Methoxybenzenes Anisoles Phenoxy compounds Beta hydroxy acids and derivatives Fluorobenzenes Halogenated fatty acids Heterocyclic fatty acids Hydroxy fatty acids Alkyl aryl ethers Aryl fluorides Unsaturated fatty acids Heteroaromatic compounds Thiophenes Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Medium-chain hydroxy acid - Phenoxy compound - Anisole - Methoxybenzene - Medium-chain fatty acid - Phenol ether - Alkyl aryl ether - Halogenated fatty acid - Heterocyclic fatty acid - Hydroxy fatty acid - Halobenzene - Fluorobenzene - Beta-hydroxy acid - Aryl fluoride - Fatty acyl - Fatty acid - Monocyclic benzene moiety - Unsaturated fatty acid - Benzenoid - Aryl halide - Heteroaromatic compound - Thiophene - Secondary alcohol - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organofluoride - Organooxygen compound - Alcohol - Organic oxygen compound - Organic oxide - Organohalogen compound - Hydrocarbon derivative - 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