| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:22:54 UTC |
|---|
| Update Date | 2025-03-21 18:37:49 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00117414 |
|---|
| Frequency | 22.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H13NO3 |
|---|
| Molecular Mass | 219.0895 |
|---|
| SMILES | CC(O)C(O)C(=O)c1c[nH]c2ccccc12 |
|---|
| InChI Key | WPZPXVAFMHDILC-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-diolsacyloinsaryl alkyl ketonesazacyclic compoundsbenzenoidsbeta-hydroxy ketonesheteroaromatic compoundshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcoholsvinylogous amides |
|---|
| Substituents | beta-hydroxy ketonearyl alkyl ketoneindolemonosaccharideketonesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1,2-diolalcoholvinylogous amideazacycleheteroaromatic compoundorganic oxygen compoundacyloinpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaryl ketone |
|---|
