| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:40:42 UTC |
|---|
| Update Date | 2025-03-21 17:58:48 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00016900 |
|---|
| Frequency | 251.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H16N2O2 |
|---|
| Molecular Mass | 220.1212 |
|---|
| SMILES | CNCC(O)c1c[nH]c2ccc(OC)cc12 |
|---|
| InChI Key | SUEQBSYIBBSBNJ-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 ethersanisolesaromatic alcoholsazacyclic compoundsdialkylaminesheteroaromatic compoundshydrocarbon derivativesorganopnictogen compoundspyrrolessecondary alcohols |
|---|
| Substituents | aromatic alcoholphenol etheretherindolealkyl aryl etheraromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic amineazacycleheteroaromatic compoundsecondary amineorganic oxygen compoundanisolepyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
|---|
