| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:52:10 UTC |
|---|
| Update Date | 2025-03-25 00:50:51 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02183418 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H8O4 |
|---|
| Molecular Mass | 180.0423 |
|---|
| SMILES | O=C(O)c1c(O)ccc2c1OCC2 |
|---|
| InChI Key | WLRQCELKXXPMNT-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | salicylic acid and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersbenzenoidscoumaranshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsvinylogous acids |
|---|
| Substituents | ethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeoxacyclevinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesaromatic heteropolycyclic compoundhydrocarbon derivative1-carboxy-2-haloaromatic compoundorganoheterocyclic compoundcoumaranorganooxygen compound |
|---|
