Compound Identification
SMILES
[Na+].COC1=C(F)C=C(C=C1)C1=C(N2[C@H](C1)[C@H]([C@@H](C)O)C2=O)C([O-])=O
InChIKey
InChIKey=ACEALRDDWBGZTP-MHUNHDRISA-M
Formula
C16H15FNNaO5
Mass
343.286
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acids
-
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
Phenylpyrrolines Carbapenems Alpha amino acids and derivatives Pyrroline carboxylic acids Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Azepines Fluorobenzenes Aryl fluorides Tertiary carboxylic acid amides Pyrroles Secondary alcohols Azetidines Carboxylic acid salts Carboxylic acids Azacyclic compounds Organic metal halides Monocarboxylic acids and derivatives Organofluorides Carbonyl compounds Organic oxides Organonitrogen compounds Organic sodium salts Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid - Carbapenem - 3-phenylpyrroline - Alpha-amino acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Alkyl aryl ether - Fluorobenzene - Halobenzene - Azepine - Aryl fluoride - Monocyclic benzene moiety - Aryl halide - Benzenoid - Tertiary carboxylic acid amide - Pyrrole - Pyrroline - Beta-lactam - Secondary alcohol - Carboxylic acid salt - Azetidine - Carboxamide group - Lactam - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Ether - Organic alkali metal salt - Carboxylic acid - Organoheterocyclic compound - Organic metal halide - Alcohol - Organohalogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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