| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:40:48 UTC |
|---|
| Update Date | 2025-03-25 00:46:49 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02157545 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H15NO5 |
|---|
| Molecular Mass | 265.095 |
|---|
| SMILES | O=C(O)CCc1ccc2c(c1)OCNC2CC(=O)O |
|---|
| InChI Key | VFXSOCOYOIJICW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzoxazines |
|---|
| Subclass | benzoxazines |
|---|
| Direct Parent | benzoxazines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsoxacyclic compounds |
|---|
| Substituents | secondary aliphatic aminecarbonyl groupcarboxylic acidazacycleamino acid or derivativesamino acidbenzoxazinesecondary aminecarboxylic acid derivativeoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
|---|
