Compound Identification
SMILES
CC(C(O)=O)c1ccc(cc1)C1Oc2ccccc2S1
InChIKey
InChIKey=IGPHQHDMKZAZHP-UHFFFAOYSA-N
Formula
C16H14O3S
Mass
286.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Bicyclic monoterpenoids Aromatic monoterpenoids Benzoxathioles Aryl thioethers Benzene and substituted derivatives Monothioacetals Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpropanoic-acid - P-cymene - Aromatic monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Benzoxathiole - Aryl thioether - Benzenoid - Monocyclic benzene moiety - Monothioacetal - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available