| Record Information |
|---|
| HMDB Status | detected |
|---|
| Creation Date | 2024-02-20 23:36:24 UTC |
|---|
| Update Date | 2025-03-21 17:57:18 UTC |
|---|
| HMDB ID | HMDB0253607 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00007046 |
|---|
| Name | Isobutamben |
|---|
| Frequency | 724.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H15NO2 |
|---|
| Molecular Mass | 193.1103 |
|---|
| SMILES | CC(C)COC(=O)c1ccc(N)cc1 |
|---|
| InChI Key | PUYOAVGNCWPANW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | benzoic acid esters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | amino acids and derivativesbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary amines |
|---|
| Substituents | amino acid or derivativesbenzoylbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
|---|
