| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:14:21 UTC |
|---|
| Update Date | 2025-03-25 00:58:58 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02234082 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H16N2O3 |
|---|
| Molecular Mass | 236.1161 |
|---|
| SMILES | CC(=O)c1c(C)c(CCC(=O)O)cc(N)c1N |
|---|
| InChI Key | XQNFWFSBFPXPSN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alkyl-phenylketones |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | acetophenonesamino acidsaryl alkyl ketonesbenzoyl derivativescarboxylic acidsdiaminotolueneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanoic acidsprimary aminestoluenesvinylogous amides |
|---|
| Substituents | diaminotoluenemonocyclic benzene moietycarboxylic acidaryl alkyl ketone3-phenylpropanoic-acidamino acid or derivativesamino acidbenzoylcarboxylic acid derivativeorganic oxideorganonitrogen compoundacetophenoneorganopnictogen compoundvinylogous amidearomatic homomonocyclic compoundmonocarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundtolueneaminealkyl-phenylketone |
|---|
