| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:03:08 UTC |
|---|
| Update Date | 2025-03-21 18:07:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00069669 |
|---|
| Frequency | 43.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H16N2 |
|---|
| Molecular Mass | 200.1313 |
|---|
| SMILES | CC1c2[nH]c3ccccc3c2CCN1C |
|---|
| InChI Key | VENAANZHUCMOGD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | alkaloids and derivatives |
|---|
| Class | harmala alkaloids |
|---|
| Subclass | harmala alkaloids |
|---|
| Direct Parent | harmala alkaloids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | aralkylaminesazacyclic compoundsbenzenoidsbeta carbolinesheteroaromatic compoundshydrocarbon derivativesindolesorganopnictogen compoundspyrrolestrialkylamines |
|---|
| Substituents | azacycleindoleheteroaromatic compoundtertiary aliphatic amineharmanindole or derivativesaralkylaminearomatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundbeta-carbolinehydrocarbon derivativebenzenoidorganic nitrogen compoundaminetertiary amineorganoheterocyclic compoundpyridoindole |
|---|
