| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:47:54 UTC |
|---|
| Update Date | 2025-03-21 18:01:33 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00033481 |
|---|
| Frequency | 108.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H6O5 |
|---|
| Molecular Mass | 182.0215 |
|---|
| SMILES | O=C(O)C(=O)CC(=O)c1ccco1 |
|---|
| InChI Key | DQHQTWRAARLYCW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | keto acids and derivatives |
|---|
| Subclass | gamma-keto acids and derivatives |
|---|
| Direct Parent | gamma-keto acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesaryl alkyl ketonescarboxylic acidsfuroic acid and derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
|---|
| Substituents | furancarbonyl groupfuroic acid or derivativescarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundheteroaromatic compoundalpha-hydroxy ketonecarboxylic acid derivativegamma-keto acidketoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-keto acidhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compoundaryl ketone |
|---|
