| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:07:42 UTC |
|---|
| Update Date | 2025-03-25 00:56:33 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02219149 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C21H14O |
|---|
| Molecular Mass | 282.1045 |
|---|
| SMILES | COc1ccc2ccc3cccc4ccc5c(ccc1c25)c34 |
|---|
| InChI Key | GARGBRUUXZHHKP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenanthrenes and derivatives |
|---|
| Subclass | chrysenes |
|---|
| Direct Parent | chrysenes |
|---|
| Geometric Descriptor | aromatic homopolycyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisoleshydrocarbon derivativesnaphthalenes |
|---|
| Substituents | phenol etheretheraromatic homopolycyclic compoundalkyl aryl etherchrysenenaphthaleneorganic oxygen compoundanisolehydrocarbon derivativeorganooxygen compound |
|---|