| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:50 UTC |
|---|
| Update Date | 2025-03-25 00:46:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02155467 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H12O3 |
|---|
| Molecular Mass | 204.0786 |
|---|
| SMILES | Cc1coc2c(CCC(=O)O)cccc12 |
|---|
| InChI Key | PEAFDTXNPIBNTN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzofurans |
|---|
| Subclass | benzofurans |
|---|
| Direct Parent | benzofurans |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | benzenoidscarbonyl compoundscarboxylic acidsfuransheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
|---|
| Substituents | furancarbonyl groupcarboxylic acidbenzofuranheteroaromatic compoundcarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
