| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:43:18 UTC |
|---|
| Update Date | 2025-03-25 00:47:39 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02163111 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H10O4 |
|---|
| Molecular Mass | 170.0579 |
|---|
| SMILES | O=C(O)C1(O)CC2C=CC1OC2 |
|---|
| InChI Key | OIILNUPCFFKUJK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrans |
|---|
| Subclass | pyrans |
|---|
| Direct Parent | pyrans |
|---|
| Geometric Descriptor | aliphatic heteropolycyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanestertiary alcohols |
|---|
| Substituents | alcoholcarbonyl groupethercarboxylic acidalpha-hydroxy acidhydroxy acidcarboxylic acid derivativedialkyl etheraliphatic heteropolycyclic compoundoxacycletertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundpyranhydrocarbon derivativeoxaneorganooxygen compound |
|---|
