| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:07:44 UTC |
|---|
| Update Date | 2025-03-25 00:56:34 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02219226 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H23N3O6 |
|---|
| Molecular Mass | 353.1587 |
|---|
| SMILES | COc1ccc(NCCCC(N)C(=O)O)c(C(=O)CC(N)C(=O)O)c1 |
|---|
| InChI Key | VGVZVBUUBCKKDK-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 | alkyl aryl ethersalpha amino acidsamino acidsanisolesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsdicarboxylic acids and derivativesgamma-keto acids and derivativeshydrocarbon derivativesmethoxybenzenesmonoalkylaminesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylalkylaminessecondary alkylarylaminesvinylogous amides |
|---|
| Substituents | phenol ethermonocyclic benzene moietyethercarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidbenzoylalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundvinylogous amidesecondary aminemethoxybenzenesecondary aliphatic/aromatic aminegamma-keto acidbutyrophenonearomatic homomonocyclic compoundanisoleketo aciddicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundaminealkyl-phenylketone |
|---|
