Compound Identification
SMILES
C[C@@H](O)[C@@H]1[C@H]2CC(=C(N2C1=O)C(O)=O)C1=CC(C=O)=CC(=C1)C1=CC=CS1
InChIKey
InChIKey=KUZDXKSJIDKSBH-IGGJQXEISA-N
Formula
C20H17NO5S
Mass
383.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acids
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Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Cinnamic acids
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids
Alternative Parents
Carbapenems Phenylpyrrolines Alpha amino acids and derivatives Benzaldehydes Benzoyl derivatives Pyrroline carboxylic acids Azepines Heteroaromatic compounds Tertiary carboxylic acid amides Thiophenes Pyrroles Azetidines Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid - Carbapenem - 3-phenylpyrroline - Alpha-amino acid or derivatives - Benzaldehyde - Benzoyl - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Azepine - Aryl-aldehyde - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Beta-lactam - Thiophene - Pyrrole - Tertiary carboxylic acid amide - Pyrroline - Azetidine - Lactam - Carboxamide group - Secondary alcohol - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Aldehyde - Alcohol - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available