| 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 | DMID02235671 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H22N2O2 |
|---|
| Molecular Mass | 274.1681 |
|---|
| SMILES | COc1ccc2[nH]cc(CCNCC3CCCO3)c2c1 |
|---|
| InChI Key | HUUAJMLMTVDSQW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | indoles and derivatives |
|---|
| Subclass | indoles |
|---|
| Direct Parent | indoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundsdialkyl ethersdialkylaminesheteroaromatic compoundshydrocarbon derivativesorganopnictogen compoundsoxacyclic compoundspyrrolestetrahydrofurans |
|---|
| Substituents | phenol etheretherindolealkyl aryl etherdialkyl etheraromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundsecondary aliphatic amineazacycletetrahydrofuranheteroaromatic compoundsecondary amineoxacycleorganic oxygen compoundanisolepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
|---|
