| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:20:34 UTC |
|---|
| Update Date | 2025-03-21 18:36:39 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00111734 |
|---|
| Frequency | 23.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H9NO4 |
|---|
| Molecular Mass | 195.0532 |
|---|
| SMILES | O=C(O)C1COc2cc(O)ccc2N1 |
|---|
| InChI Key | GCACLMGXTVHERP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzoxazines |
|---|
| Subclass | benzoxazines |
|---|
| Direct Parent | benzoxazines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha amino acidsamino acidsazacyclic compoundsbenzenoidsbenzomorpholinescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundssecondary alkylarylamines |
|---|
| Substituents | carbonyl groupethercarboxylic acidamino acid or derivativesamino acid1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativebenzomorpholineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundazacyclebenzoxazinesecondary amineoxazinanesecondary aliphatic/aromatic amineoxacyclemorpholinemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
|---|
