| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:15:01 UTC |
|---|
| Update Date | 2025-03-25 00:59:12 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02235670 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H20N2O3 |
|---|
| Molecular Mass | 288.1474 |
|---|
| SMILES | COc1ccc2[nH]cc(CCNCC3CCC(=O)O3)c2c1 |
|---|
| InChI Key | CZDDNOICEYPBMR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | delta amino acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acid estersdialkylaminesgamma butyrolactonesheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundspyrrolestetrahydrofurans |
|---|
| Substituents | phenol ethercarbonyl groupetherindolealkyl aryl etherlactoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compounddelta amino acid or derivativesorganoheterocyclic compoundsecondary aliphatic amineazacycletetrahydrofuranheteroaromatic compoundindole or derivativessecondary aminegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
|---|
