Record Information |
---|
HMDB Status | Not Available |
---|
Creation Date | 2024-02-21 00:18:05 UTC |
---|
Update Date | 2025-03-21 18:35:26 UTC |
---|
HMDB ID | Not Available |
---|
Metabolite Identification |
---|
DeepMet ID | DMID00105613 |
---|
Frequency | 25.6 |
---|
Structure | |
---|
Chemical Formula | C12H15NO7 |
---|
Molecular Mass | 285.0849 |
---|
SMILES | NC1C(Oc2ccccc2O)OC(C(=O)O)C(O)C1O |
---|
InChI Key | QSNTVOPYNKCUIH-UHFFFAOYSA-N |
---|
Chemical Taxonomy |
---|
Kingdom | organic compounds |
---|
Superclass | organic acids and derivatives |
---|
Class | carboxylic acids and derivatives |
---|
Subclass | amino acids, peptides, and analogues |
---|
Direct Parent | delta amino acids and derivatives |
---|
Geometric Descriptor | aromatic heteromonocyclic compounds |
---|
Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
---|
Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidepyran carboxylic acidbeta-hydroxy acidsaccharideorganic oxideacetalorganonitrogen compoundorganopnictogen compounddelta amino acid or derivativesoxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
---|