| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 01:09:30 UTC |
|---|
| Update Date | 2025-03-21 19:05:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00226257 |
|---|
| Frequency | 9.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H6O4 |
|---|
| Molecular Mass | 142.0266 |
|---|
| SMILES | O=C(O)C=C1CCC(=O)O1 |
|---|
| InChI Key | PAXZFOJFQRGLPZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | dicarboxylic acids and derivatives |
|---|
| Direct Parent | dicarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidsenol estershydrocarbon derivativeslactonesorganic oxidesoxacyclic compoundstetrahydrofurans |
|---|
| Substituents | carbonyl groupcarboxylic acidtetrahydrofuranlactoneoxacycleorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeenol esterorganoheterocyclic compoundorganooxygen compound |
|---|
