| Record Information |
|---|
| HMDB Status | predicted |
|---|
| Creation Date | 2024-02-20 23:36:57 UTC |
|---|
| Update Date | 2025-03-21 17:57:30 UTC |
|---|
| HMDB ID | HMDB0127493 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00008332 |
|---|
| Name | 3-(3,5-dimethoxyphenyl)propanoic acid |
|---|
| Frequency | 589.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H14O4 |
|---|
| Molecular Mass | 210.0892 |
|---|
| SMILES | COc1cc(CCC(=O)O)cc(OC)c1 |
|---|
| InChI Key | LMBOJOXVLORKSQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | phenylpropanoic acids |
|---|
| Subclass | phenylpropanoic acids |
|---|
| Direct Parent | phenylpropanoic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisolescarbonyl compoundscarboxylic acidsdimethoxybenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compounddimethoxybenzeneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundm-dimethoxybenzeneanisolehydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
