| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:10:18 UTC |
|---|
| Update Date | 2025-03-25 00:57:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02225102 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H9NO2 |
|---|
| Molecular Mass | 151.0633 |
|---|
| SMILES | Nc1cccc(C(O)C=O)c1 |
|---|
| InChI Key | AJQDKTWRHDTDQG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylacetaldehydes |
|---|
| Direct Parent | phenylacetaldehydes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha-hydroxyaldehydesaromatic alcoholshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary aminessecondary alcohols |
|---|
| Substituents | aromatic alcoholalcoholcarbonyl groupaldehydearomatic homomonocyclic compoundorganic oxidealpha-hydroxyaldehydeorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compoundphenylacetaldehyde |
|---|
