| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:05:26 UTC |
|---|
| Update Date | 2025-03-25 00:55:44 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02213928 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H25N3O2 |
|---|
| Molecular Mass | 303.1947 |
|---|
| SMILES | CCN(CC)CCOC(=O)c1ccc(NC2=NCCC2)cc1 |
|---|
| InChI Key | ZUYMAEIPULGIDD-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 heteromonocyclic compounds |
|---|
| Alternative Parents | amidinesamino acids and derivativesazacyclic compoundsbenzoyl derivativescarboxylic acid estershydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolinestrialkylamines |
|---|
| Substituents | aromatic heteromonocyclic compoundamino acid or derivativesbenzoylbenzoate esteramidinecarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundimidolactamtertiary amineorganoheterocyclic compoundazacycletertiary aliphatic amineorganic 1,3-dipolar compoundmonocarboxylic acid or derivativespyrrolineorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
|---|
