| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 01:06:17 UTC |
|---|
| Update Date | 2025-03-21 19:03:43 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00218927 |
|---|
| Frequency | 9.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H8O3 |
|---|
| Molecular Mass | 140.0473 |
|---|
| SMILES | COc1ccc(C(C)=O)o1 |
|---|
| InChI Key | VJRMEROKMGZTOZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | furans |
|---|
| Subclass | furoic acid and derivatives |
|---|
| Direct Parent | furoic acid and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersaryl alkyl ketonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesoxacyclic compounds |
|---|
| Substituents | etherfuroic acid or derivativesaryl alkyl ketonearomatic heteromonocyclic compoundheteroaromatic compoundalkyl aryl etherketoneoxacycleorganic oxideorganic oxygen compoundhydrocarbon derivativeorganooxygen compoundaryl ketone |
|---|
