| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:23:33 UTC |
|---|
| Update Date | 2025-03-21 18:38:05 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00118955 |
|---|
| Frequency | 21.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H18N2O3 |
|---|
| Molecular Mass | 238.1317 |
|---|
| SMILES | CC(=O)NCCCCn1c(C=O)ccc1CO |
|---|
| InChI Key | KWGYXNAQPYHRSW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | aryl-aldehydes |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetamidesaromatic alcoholsazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessubstituted pyrroles |
|---|
| Substituents | aromatic alcoholalcoholaromatic heteromonocyclic compoundazacycleheteroaromatic compoundsubstituted pyrrolecarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxidearyl-aldehydepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundacetamide |
|---|
