Compound Identification
SMILES
OC(=O)CC1C(=S)SC(=CC2=CC(O)=CC=C2)C1=O
InChIKey
InChIKey=FWFKELGFFZDAFU-UHFFFAOYSA-N
Formula
C13H10O4S2
Mass
294.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acids and conjugates
- Level 5 Thia fatty acids
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Subclass
Fatty acids and conjugates
-
Class
Fatty Acyls
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acids and conjugates
Intermediate Tree Nodes
Not available
Direct Parent
Thia fatty acids
Alternative Parents
Hydroxy fatty acids 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Thiolane-2-thiones Benzene and substituted derivatives Carbodithiolactones Dithiocarboxylic acid esters Cyclic ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Hydroxy fatty acid - Phenol - Thia fatty acid - Monocyclic benzene moiety - Benzenoid - Thiolane-2-thione - Thiolane - Carbodithiolactone - Ketone - Dithiocarboxylic acid ester - Cyclic ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Dithiocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organic oxide - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as thia fatty acids. These are fatty acid derivatives obtained by insertion of a sulfur atom at specific positions in the chain.
External Descriptors
Not available