| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:45:19 UTC |
|---|
| Update Date | 2025-03-21 18:00:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00027413 |
|---|
| Frequency | 138.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H6O5 |
|---|
| Molecular Mass | 182.0215 |
|---|
| SMILES | O=C(O)c1cc(O)cc(C(=O)O)c1 |
|---|
| InChI Key | QNVNLUSHGRBCLO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | m-phthalic acid and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativescarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxybenzoic acid derivativesorganic oxidesorganooxygen compounds |
|---|
| Substituents | carboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativehydroxybenzoic acidaromatic homomonocyclic compoundorganic oxideorganic oxygen compounddicarboxylic acid or derivativesphenolmeta_phthalic_acidhydrocarbon derivativebenzoic acidorganooxygen compound |
|---|
