| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:57:13 UTC |
|---|
| Update Date | 2025-03-25 00:52:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02194828 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H12O5 |
|---|
| Molecular Mass | 200.0685 |
|---|
| SMILES | CCOC(=O)C1CCC(O)=C1C(=O)O |
|---|
| InChI Key | HXNIYZCCUOHKLE-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 homomonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acid esterscarboxylic acidshydrocarbon derivativesorganic oxidesvinylogous acids |
|---|
| Substituents | vinylogous acidcarbonyl grouporganic oxidecarboxylic acidorganic oxygen compoundcarboxylic acid esteraliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
|---|
