| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:26:02 UTC |
|---|
| Update Date | 2025-03-21 18:39:14 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00124718 |
|---|
| Frequency | 20.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C31H38N2O4 |
|---|
| Molecular Mass | 502.2832 |
|---|
| SMILES | CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3cccnc3)CC2)cc1 |
|---|
| InChI Key | RWEKNOUGLWZLMI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylbutylamines |
|---|
| Direct Parent | phenylbutylamines |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | amino acidsaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanespiperidinessecondary alcoholstertiary alcoholstrialkylamines |
|---|
| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidcarboxylic acid derivativephenylpropaneorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundtertiary aliphatic aminehydroxypyridinemethylpyridinetertiary alcoholmonocarboxylic acid or derivativespyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
|---|
