Compound Identification
SMILES
[Na+].COC1=C(OC(=O)C(O)CO)C=CC(\C=C\C([O-])=O)=C1
InChIKey
InChIKey=LDZSWNRSRBRRJR-WGCWOXMQSA-M
Formula
C13H13NaO7
Mass
304.23
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
-
Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Coumaric acids and derivatives
Alternative Parents
Cinnamic acids Phenol esters Anisoles Methoxybenzenes Styrenes Phenoxy compounds Alkyl aryl ethers Sugar acids and derivatives Beta hydroxy acids and derivatives Monosaccharides Dicarboxylic acids and derivatives Carboxylic acid salts Carboxylic acid esters 1,2-diols Secondary alcohols Carboxylic acids Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary alcohols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid - Phenol ester - Phenoxy compound - Phenol ether - Styrene - Methoxybenzene - Anisole - Glyceric_acid - Alkyl aryl ether - Beta-hydroxy acid - Benzenoid - Monosaccharide - Hydroxy acid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Carboxylic acid salt - Secondary alcohol - Carboxylic acid ester - 1,2-diol - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Ether - Organic zwitterion - Organic salt - Alcohol - Carbonyl group - Organic sodium salt - Organic oxygen compound - Organic oxide - Primary alcohol - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
External Descriptors
Not available