| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:50:21 UTC |
|---|
| Update Date | 2025-03-21 18:02:39 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00039359 |
|---|
| Frequency | 88.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H8O5 |
|---|
| Molecular Mass | 160.0372 |
|---|
| SMILES | O=C1CCC(O)C(C(=O)O)O1 |
|---|
| InChI Key | BWAUMLQYORDYID-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrans |
|---|
| Subclass | pyran carboxylic acids and derivatives |
|---|
| Direct Parent | pyran carboxylic acids |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | beta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdelta valerolactonesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
|---|
| Substituents | alcoholcarbonyl groupcarboxylic acidpyran carboxylic acid or derivativesdelta valerolactonehydroxy acidcarboxylic acid derivativelactoneoxacyclebeta-hydroxy acidorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeoxanedelta_valerolactoneorganooxygen compound |
|---|
