| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:20:54 UTC |
|---|
| Update Date | 2025-03-21 18:36:49 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00112538 |
|---|
| Frequency | 23.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H10O5 |
|---|
| Molecular Mass | 198.0528 |
|---|
| SMILES | COc1c(O)ccc(CC(=O)O)c1O |
|---|
| InChI Key | XPPMDHRRCUZCGT-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylacetic acids |
|---|
| Direct Parent | 2(hydroxyphenyl)acetic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsresorcinols |
|---|
| Substituents | phenol ethercarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenol1-hydroxy-4-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativemethoxybenzeneresorcinolaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativephenoxy compoundorganooxygen compound2(hydroxyphenyl)acetic acid |
|---|
