Compound Identification
SMILES
O[C@@H]([C@H](O)C1=CC=C(C=C1)[N+]([O-])=O)C(O)=O
InChIKey
InChIKey=HECIPFXWKLIGAF-SFYZADRCSA-N
Formula
C9H9NO6
Mass
227.172
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
Nitrobenzenes Nitroaromatic compounds Beta hydroxy acids and derivatives Alpha hydroxy acids and derivatives Monosaccharides Secondary alcohols 1,2-diols Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic oxoazanium compounds Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Aromatic alcohols Organic salts Organic oxides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - Nitrobenzene - Nitroaromatic compound - Beta-hydroxy acid - Alpha-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Monosaccharide - Benzenoid - 1,2-diol - Organic nitro compound - C-nitro compound - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Organic salt - Alcohol - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Organic cation - Aromatic homomonocyclic 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