| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 03:55:48 UTC |
|---|
| Update Date | 2025-03-21 23:00:49 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00617691 |
|---|
| Frequency | 2.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H9NO |
|---|
| Molecular Mass | 123.0684 |
|---|
| SMILES | CC(=O)Cc1ccc[nH]1 |
|---|
| InChI Key | VKUSUJJRRNEAHN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | heteroaromatic compounds |
|---|
| Subclass | heteroaromatic compounds |
|---|
| Direct Parent | heteroaromatic compounds |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundshydrocarbon derivativesketonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
|---|
| Substituents | carbonyl grouparomatic heteromonocyclic compoundazacycleheteroaromatic compoundketoneorganic oxideorganic oxygen compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
