| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:52:45 UTC |
|---|
| Update Date | 2025-03-21 18:03:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00045191 |
|---|
| Frequency | 74.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H15NO3 |
|---|
| Molecular Mass | 221.1052 |
|---|
| SMILES | COc1ccc2[nH]cc(CC(O)CO)c2c1 |
|---|
| InChI Key | GRGSKLDRTYEPAJ-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 | 1,2-diolsalkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholspyrrolessecondary alcohols |
|---|
| Substituents | alcoholphenol etheretherazacycleindoleheteroaromatic compoundalkyl aryl etherorganic oxygen compoundaromatic heteropolycyclic compoundanisolepyrroleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundprimary alcoholorganooxygen compound1,2-diol |
|---|
