Compound Identification
SMILES
COC1=C(OC)C=C(CC(C)(O)C(O)=O)C=C1
InChIKey
InChIKey=XJMRYDACEIUIHX-UHFFFAOYSA-N
Formula
C12H16O5
Mass
240.255
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
Dimethoxybenzenes Phenylpropanes Phenoxy compounds Anisoles Alkyl aryl ethers Alpha hydroxy acids and derivatives Tertiary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - O-dimethoxybenzene - Dimethoxybenzene - Phenylpropane - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Alpha-hydroxy acid - Benzenoid - Hydroxy acid - Monocyclic benzene moiety - Tertiary alcohol - Carboxylic acid derivative - Ether - Carboxylic acid - Monocarboxylic acid or derivatives - Alcohol - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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