| Record Information |
|---|
| HMDB Status | quantified |
|---|
| Creation Date | 2024-02-20 23:33:37 UTC |
|---|
| Update Date | 2025-03-21 17:56:11 UTC |
|---|
| HMDB ID | HMDB0001389 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00000549 |
|---|
| Name | Melatonin |
|---|
| Frequency | 9673.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H16N2O2 |
|---|
| Molecular Mass | 232.1212 |
|---|
| SMILES | COc1ccc2[nH]cc(CCNC(C)=O)c2c1 |
|---|
| InChI Key | DRLFMBDRBRZALE-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 | acetamidesalkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
|---|
| Substituents | phenol ethercarbonyl groupetherindolealkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundacetamideazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundanisolepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
