| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:38:10 UTC |
|---|
| Update Date | 2025-03-21 17:57:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00011226 |
|---|
| Frequency | 413.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H10O5 |
|---|
| Molecular Mass | 210.0528 |
|---|
| SMILES | COc1cc(C(=O)O)ccc1OC(C)=O |
|---|
| InChI Key | WTPDKEAYVAXNRO-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 | alkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesphenol estersphenoxy compounds |
|---|
| Substituents | phenol ethercarbonyl groupethercarboxylic acidbenzoylalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisolecarboxylic acid esterphenol esterdicarboxylic acid or derivativeshydrocarbon derivativebenzoic acidphenoxy compoundm-methoxybenzoic acid or derivativesorganooxygen compound |
|---|
