| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:10:25 UTC |
|---|
| Update Date | 2025-03-25 00:57:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02225328 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H20N2O3 |
|---|
| Molecular Mass | 288.1474 |
|---|
| SMILES | CC(C(O)c1c[nH]c2ccccc12)N1CCCC1C(=O)O |
|---|
| InChI Key | XTWOKXQTXJNSFG-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 | proline and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1,2-aminoalcoholsalpha amino acidsamino acidsaromatic alcoholsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundspyrrolespyrrolidine carboxylic acidssecondary alcoholstrialkylamines |
|---|
| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidamino acidindoleorganic oxidearomatic heteropolycyclic compoundpyrrolidine carboxylic acidalpha-amino acidorganonitrogen compoundorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundproline or derivativesalcoholazacyclen-alkylpyrrolidine1,2-aminoalcoholheteroaromatic compoundtertiary aliphatic amineindole or derivativesmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
|---|
