| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:46:31 UTC |
|---|
| Update Date | 2025-03-21 18:00:56 UTC |
|---|
| HMDB ID | HMDB0034217 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00030183 |
|---|
| Name | Harmol |
|---|
| Frequency | 123.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H10N2O |
|---|
| Molecular Mass | 198.0793 |
|---|
| SMILES | Cc1nccc2c1[nH]c1cc(O)ccc12 |
|---|
| InChI Key | SATMZMMKDDTOSQ-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 | 1-hydroxy-2-unsubstituted benzenoids2-halopyridinesazacyclic compoundsbenzenoidsbeta carbolinesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesindolesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyrroles |
|---|
| Substituents | azacycleindolepolyhalopyridineheteroaromatic compoundhydroxypyridineharman1-hydroxy-2-unsubstituted benzenoidindole or derivativespyridineorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundbeta-carbolinehydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundpyridoindole |
|---|
