| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:36:21 UTC |
|---|
| Update Date | 2025-03-21 17:57:17 UTC |
|---|
| HMDB ID | HMDB0060671 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00006956 |
|---|
| Name | Atropaldehyde |
|---|
| Frequency | 735.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H8O |
|---|
| Molecular Mass | 132.0575 |
|---|
| SMILES | C=C(C=O)c1ccccc1 |
|---|
| InChI Key | ZFBRJUBOJXNIQM-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 | aldehydeshydrocarbon derivativesorganic oxides |
|---|
| Substituents | aromatic homomonocyclic compoundcarbonyl grouporganic oxideorganic oxygen compoundaldehydehydrocarbon derivativeorganooxygen compoundphenylacetaldehyde |
|---|
