| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:45 UTC |
|---|
| Update Date | 2025-03-25 00:46:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02155268 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H10N2O3 |
|---|
| Molecular Mass | 230.0691 |
|---|
| SMILES | Cc1cc2c(=O)oc3[nH]c(=O)[nH]c3c2cc1C |
|---|
| InChI Key | UYGPMRNAYBJSDZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | isocoumarins and derivatives |
|---|
| Subclass | isocoumarins and derivatives |
|---|
| Direct Parent | isocoumarins and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 2-benzopyransazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesimidazoleslactonesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspyranones and derivatives |
|---|
| Substituents | benzopyrancarbonic acid derivativeazacycleheteroaromatic compoundisocoumarinlactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundimidazolepyran2-benzopyranorganonitrogen compoundpyranoneorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazole |
|---|
