| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:30:39 UTC |
|---|
| Update Date | 2025-03-21 18:41:40 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00135518 |
|---|
| Frequency | 18.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H16N2O2 |
|---|
| Molecular Mass | 220.1212 |
|---|
| SMILES | NCC(O)C(O)Cc1c[nH]c2ccccc12 |
|---|
| InChI Key | ZHYCTJBFHPALPS-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-diolsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcohols |
|---|
| Substituents | alcoholazacycleindoleheteroaromatic compoundorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound1,2-diol |
|---|
