| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:46:42 UTC |
|---|
| Update Date | 2025-03-25 00:48:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02170901 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H9NO2 |
|---|
| Molecular Mass | 139.0633 |
|---|
| SMILES | CNc1ccc(C(C)=O)o1 |
|---|
| InChI Key | AOMZKNKGEKQXIH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | furans |
|---|
| Subclass | furoic acid and derivatives |
|---|
| Direct Parent | furoic acid and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | aryl alkyl ketonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alkylarylamines |
|---|
| Substituents | furoic acid or derivativesaryl alkyl ketonearomatic heteromonocyclic compoundheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineketoneoxacycleorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaminearyl ketone |
|---|
