| Record Information |
|---|
| HMDB Status | detected |
|---|
| Creation Date | 2024-02-20 23:57:14 UTC |
|---|
| Update Date | 2025-03-21 18:05:13 UTC |
|---|
| HMDB ID | HMDB0248969 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00055600 |
|---|
| Name | Benz[a]anthracene |
|---|
| Frequency | 57.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H12 |
|---|
| Molecular Mass | 228.0939 |
|---|
| SMILES | c1ccc2cc3c(ccc4ccccc43)cc2c1 |
|---|
| InChI Key | DXBHBZVCASKNBY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | anthracenes |
|---|
| Subclass | anthracenes |
|---|
| Direct Parent | anthracenes |
|---|
| Geometric Descriptor | aromatic homopolycyclic compounds |
|---|
| Alternative Parents | phenanthrenes and derivativespolycyclic hydrocarbonssaturated hydrocarbons |
|---|
| Substituents | saturated hydrocarbonanthracenephenanthrenearomatic homopolycyclic compoundpolycyclic hydrocarbonhydrocarbon |
|---|
