| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:00:35 UTC |
|---|
| Update Date | 2025-03-21 18:06:31 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00063510 |
|---|
| Frequency | 48.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H20N2O2 |
|---|
| Molecular Mass | 248.1525 |
|---|
| SMILES | COc1ccc2[nH]cc(C(O)CCN(C)C)c2c1 |
|---|
| InChI Key | KXHWDHRVHTUJIO-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 | 1,3-aminoalcoholsalkyl aryl ethersanisolesaromatic alcoholsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganopnictogen compoundspyrrolessecondary alcoholstrialkylamines |
|---|
| Substituents | aromatic alcoholphenol etheretherindolealkyl aryl etheraromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundtertiary aminealcohol1,3-aminoalcoholazacycleheteroaromatic compoundtertiary aliphatic amineorganic oxygen compoundanisolepyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
|---|
