| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:21:12 UTC |
|---|
| Update Date | 2025-03-21 18:36:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00113240 |
|---|
| Frequency | 23.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H8O4 |
|---|
| Molecular Mass | 168.0423 |
|---|
| SMILES | CC(=O)COC(=O)c1ccco1 |
|---|
| InChI Key | CNDZHCAMXDDAJJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | furans |
|---|
| Subclass | furoic acid and derivatives |
|---|
| Direct Parent | furoic acid esters |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | carboxylic acid estersheteroaromatic compoundshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
|---|
| Substituents | carbonyl grouparomatic heteromonocyclic compoundheteroaromatic compoundcarboxylic acid derivativeketoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compoundfuroic acid ester |
|---|
