| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:29:59 UTC |
|---|
| Update Date | 2025-03-21 18:41:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00134040 |
|---|
| Frequency | 18.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H8O5 |
|---|
| Molecular Mass | 184.0372 |
|---|
| SMILES | COc1cc(C(=O)OO)ccc1O |
|---|
| InChI Key | CNYYEMCKADBDLK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | m-methoxybenzoic acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesbenzoyl derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic hydroperoxidesorganic oxidesperoxolsperoxybenzoic acids and derivativesperoxycarboxylic acids and derivativesphenoxy compounds |
|---|
| Substituents | phenol etheretherbenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolhydroperoxidealkyl aryl ethercarboxylic acid derivativeorganic oxideperoxycarboxylic acid or derivativesm-methoxybenzoic acid or derivativesperoxybenzoatemethoxybenzeneperoxolaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
