| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:14:25 UTC |
|---|
| Update Date | 2025-03-25 00:58:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02234235 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H7NO4 |
|---|
| Molecular Mass | 169.0375 |
|---|
| SMILES | COC(=O)c1ccc(=O)oc1N |
|---|
| InChI Key | QRRYXGARCXBKTH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrans |
|---|
| Subclass | pyranones and derivatives |
|---|
| Direct Parent | pyranones and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | amino acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactonesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsprimary aminesvinylogous amides |
|---|
| Substituents | vinylogous amidearomatic heteromonocyclic compoundamino acid or derivativesheteroaromatic compoundcarboxylic acid derivativelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundpyranoneorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
|---|
