| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:56:15 UTC |
|---|
| Update Date | 2025-03-21 18:04:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00053352 |
|---|
| Frequency | 60.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14O4 |
|---|
| Molecular Mass | 222.0892 |
|---|
| SMILES | Cc1cc(CC2CCC(=O)O2)cc(O)c1O |
|---|
| InChI Key | NFRCQJKPEQHZAV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | cresols |
|---|
| Direct Parent | meta cresols |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesortho cresolsoxacyclic compoundstetrahydrofuranstoluenes |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupm-cresolaromatic heteromonocyclic compoundtetrahydrofuran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estero-cresolhydrocarbon derivativetolueneorganoheterocyclic compoundorganooxygen compound |
|---|
