| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:46:14 UTC |
|---|
| Update Date | 2025-03-21 18:00:49 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00029511 |
|---|
| Frequency | 126.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H8O4 |
|---|
| Molecular Mass | 168.0423 |
|---|
| SMILES | Cc1cc(O)c(O)cc1C(=O)O |
|---|
| InChI Key | HJNPGECUHKHNGG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | hydroxybenzoic acid derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmeta cresolsmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundspara cresolstoluenes |
|---|
| Substituents | carboxylic acidm-cresolbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativehydroxybenzoic acidaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundp-cresolphenolhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidtolueneorganooxygen compound |
|---|
