| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 08:36:22 UTC |
|---|
| Update Date | 2025-03-25 00:21:07 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01290974 |
|---|
| Frequency | 1.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H9NO |
|---|
| Molecular Mass | 123.0684 |
|---|
| SMILES | O=CCCn1cccc1 |
|---|
| InChI Key | PRVQKJFRJQBSFO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrroles |
|---|
| Subclass | substituted pyrroles |
|---|
| Direct Parent | substituted pyrroles |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alpha-hydrogen aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
|---|
| Substituents | carbonyl grouparomatic heteromonocyclic compoundazacycleheteroaromatic compoundaldehydesubstituted pyrroleorganic oxideorganic oxygen compoundalpha-hydrogen aldehydeorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
