| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:38:25 UTC |
|---|
| Update Date | 2025-03-21 17:58:02 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00011789 |
|---|
| Frequency | 389.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H8O7 |
|---|
| Molecular Mass | 192.027 |
|---|
| SMILES | O=C1OC(O)(C(=O)O)CC(O)C1O |
|---|
| InChI Key | YCQFQZPUQNUQKH-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 | 1,2-diolsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdelta valerolactonesdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
|---|
| Substituents | carbonyl groupcarboxylic aciddelta valerolactonealpha-hydroxy acidcarboxylic acid derivativelactoneorganic oxidealiphatic heteromonocyclic compoundhemiacetaloxanedelta_valerolactone1,2-diolalcoholpyran carboxylic acid or derivativeshydroxy acidoxacycleorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
|---|
