| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:43:04 UTC |
|---|
| Update Date | 2025-03-25 00:47:34 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02162575 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H15NO7 |
|---|
| Molecular Mass | 297.0849 |
|---|
| SMILES | O=C(O)CC(NC(=O)OCc1ccccc1)C(O)C(=O)O |
|---|
| InChI Key | MLNQJSWBFAIDLM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzyloxycarbonyls |
|---|
| Direct Parent | benzyloxycarbonyls |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativescarbamate esterscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
|---|
| Substituents | benzyloxycarbonylalcoholcarbonyl groupcarbonic acid derivativecarboxylic acidalpha-hydroxy acidmonosaccharidecarbamic acid esterhydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundsaccharideorganic oxideorganic oxygen compoundorganonitrogen compoundsecondary alcoholdicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
