| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:19:37 UTC |
|---|
| Update Date | 2025-03-21 18:36:12 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00109447 |
|---|
| Frequency | 24.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H10O3 |
|---|
| Molecular Mass | 166.063 |
|---|
| SMILES | Cc1c(O)ccc(C(=O)O)c1C |
|---|
| InChI Key | NGBXMLOGRLGZII-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 compoundsortho cresolso-xylenes |
|---|
| Substituents | carboxylic acidm-cresolbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativehydroxybenzoic acidaromatic homomonocyclic compoundxyleneorganic oxidemonocarboxylic acid or derivativeso-xyleneorganic oxygen compoundo-cresolphenolhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
|---|
