| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:12:17 UTC |
|---|
| Update Date | 2025-03-21 18:32:34 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00091482 |
|---|
| Frequency | 30.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H6O5 |
|---|
| Molecular Mass | 158.0215 |
|---|
| SMILES | O=C(O)CC1(O)C=COC1=O |
|---|
| InChI Key | FLOPSVVSAMXPSY-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 acidsdihydrofuransenol estershydrocarbon derivativeslactonesorganic oxidesoxacyclic compoundstertiary alcohols |
|---|
| Substituents | alcoholcarbonyl groupcarboxylic acidlactoneoxacycletertiary alcoholorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeenol esterorganoheterocyclic compoundorganooxygen compounddihydrofuran |
|---|
