| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:36:08 UTC |
|---|
| Update Date | 2025-03-21 17:57:13 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00006421 |
|---|
| Frequency | 803.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H12O5 |
|---|
| Molecular Mass | 236.0685 |
|---|
| SMILES | COc1cc(C=CC(=O)CC(=O)O)ccc1O |
|---|
| InChI Key | CXMRDTYDEINMSY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | cinnamic acids and derivatives |
|---|
| Subclass | hydroxycinnamic acids and derivatives |
|---|
| Direct Parent | hydroxycinnamic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacryloyl compoundsalkyl aryl ethersanisolesbeta-hydroxy ketonesbeta-keto acids and derivativescarbocyclic fatty acidscarboxylic acidsenonesfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsb'-hydroxy-alpha,beta-unsaturated ketones |
|---|
| Substituents | fatty acylbeta-hydroxy ketonecarbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidb'-hydroxy-alpha,beta-unsaturated-ketone1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheralpha,beta-unsaturated ketonecarboxylic acid derivativebeta-keto acidketoneorganic oxidehydroxy fatty acidenonemethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisoleketo acidphenolhydrocarbon derivativebenzenoidacryloyl-groupphenoxy compoundorganooxygen compoundmedium-chain keto acid |
|---|
