| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:59:58 UTC |
|---|
| Update Date | 2025-03-25 00:53:40 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02201215 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H10N2O4 |
|---|
| Molecular Mass | 258.0641 |
|---|
| SMILES | COc1ccc(-c2coc3c(=O)[nH]c(=O)[nH]c23)cc1 |
|---|
| InChI Key | CYWBYDUXAIFIOO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenol ethers |
|---|
| Subclass | anisoles |
|---|
| Direct Parent | anisoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersazacyclic compoundsfuransheteroaromatic compoundshydrocarbon derivativeslactamsmethoxybenzenesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenoxy compoundspyrimidonesvinylogous amides |
|---|
| Substituents | furanmonocyclic benzene moietyetherlactampyrimidonealkyl aryl etherpyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundmethoxybenzeneoxacycleorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
|---|
