Compound Identification
SMILES
O[C@H]1CO[C@@]2(O)[C@@H]1OC(=O)[C@]2(O)[C@H](CC(O)=O)C1=CC=C(O)C=C1
InChIKey
InChIKey=MQVWOYQLIZIHNH-CFEZUGBKSA-N
Formula
C15H16O9
Mass
340.284
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
Isosorbides 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Monosaccharides Dicarboxylic acids and derivatives Gamma butyrolactones Tertiary alcohols Oxolanes Secondary alcohols Carboxylic acid esters Hemiacetals Polyols Oxacyclic compounds Carboxylic acids Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - Isosorbide - Furofuran - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Gamma butyrolactone - Monosaccharide - Benzenoid - Oxolane - Tertiary alcohol - Lactone - Secondary alcohol - Hemiacetal - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Polyol - Carboxylic acid - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organic oxide - Carbonyl group - Organooxygen 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