| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:15:12 UTC |
|---|
| Update Date | 2025-03-21 18:33:58 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00098551 |
|---|
| Frequency | 27.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H10O6 |
|---|
| Molecular Mass | 226.0477 |
|---|
| SMILES | O=C(O)c1ccccc1OCC(O)C(=O)O |
|---|
| InChI Key | MRNMYULNDGJHIB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | benzoic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkyl aryl ethersalpha hydroxy acids and derivativesbenzoyl derivativescarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesphenol ethersphenoxy compoundssecondary alcoholssugar acids and derivatives |
|---|
| Substituents | phenol ethercarbonyl groupethercarboxylic acidalpha-hydroxy acidbenzoylmonosaccharidealkyl aryl ethercarboxylic acid derivativesaccharideorganic oxideglyceric_acid1-carboxy-2-haloaromatic compoundbenzoic acidalcoholhydroxy acidaromatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
