| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:59:22 UTC |
|---|
| Update Date | 2025-03-21 18:06:02 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00060674 |
|---|
| Frequency | 51.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H7NO2 |
|---|
| Molecular Mass | 197.0477 |
|---|
| SMILES | O=c1oc2ccccc2c2ccncc12 |
|---|
| InChI Key | OBALYGUEZMVSMT-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | coumarins and derivatives |
|---|
| Subclass | coumarins and derivatives |
|---|
| Direct Parent | coumarins and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-benzopyransazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinespyranones and derivativespyridines and derivatives |
|---|
| Substituents | benzopyranazacycle1-benzopyranpolyhalopyridineheteroaromatic compoundcoumarinlactoneoxacycleorganic oxidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundpyranorganonitrogen compoundpyranoneorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
|---|
