| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:14:54 UTC |
|---|
| Update Date | 2025-03-25 00:59:10 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02235400 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H20N2O3 |
|---|
| Molecular Mass | 276.1474 |
|---|
| SMILES | COC(=O)C1C(O)CC2CCC1N2Cc1cccnc1 |
|---|
| InChI Key | HKSTZSFJASZXJG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | alkaloids and derivatives |
|---|
| Class | tropane alkaloids |
|---|
| Subclass | tropane alkaloids |
|---|
| Direct Parent | tropane alkaloids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | amino acids and derivativesaralkylaminesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscyclic alcohols and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethyl estersmethylpyridinesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundspiperidinecarboxylic acidspiperidinessecondary alcoholstrialkylamines |
|---|
| Substituents | carbonyl groupamino acid or derivativescarboxylic acid derivativearalkylaminebeta-hydroxy acidorganic oxidemethyl esteraromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acidpiperidinepyrrolidinetertiary amineorganoheterocyclic compoundalcoholazacyclen-alkylpyrrolidineheteroaromatic compoundtertiary aliphatic aminehydroxypyridinemethylpyridinehydroxy acidcyclic alcoholmonocarboxylic acid or derivativespyridineorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundtropane alkaloidamineorganooxygen compound |
|---|
