| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:49:21 UTC |
|---|
| Update Date | 2025-03-25 00:49:50 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02177040 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H17NO7 |
|---|
| Molecular Mass | 299.1005 |
|---|
| SMILES | O=C(O)C1OC(O)(CNc2ccc(O)cc2)CC(O)C1O |
|---|
| InChI Key | PJSTXPSPGFYJJS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrans |
|---|
| Subclass | pyran carboxylic acids and derivatives |
|---|
| Direct Parent | pyran carboxylic acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsamino acidsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenylalkylaminessecondary alcoholssecondary alkylarylamines |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acid1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundhemiacetaloxane1,2-diolalcoholpyran carboxylic acid or derivativeshydroxy acidsecondary aminesecondary aliphatic/aromatic amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenylalkylaminephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
|---|
