| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:51:37 UTC |
|---|
| Update Date | 2025-03-25 00:50:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02182196 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H13NO4 |
|---|
| Molecular Mass | 199.0845 |
|---|
| SMILES | O=C(O)C1NCC2C=CC(O)C(O)C21 |
|---|
| InChI Key | AZLMNSMRDOYTRO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | bicyclic amino acids and derivatives |
|---|
| Geometric Descriptor | aliphatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1,2-diolsalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesisoindolesisoindolinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolidine carboxylic acidssecondary alcohols |
|---|
| Substituents | bicyclic amino acidcarbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativescarboxylic acid derivativealiphatic heteropolycyclic compoundorganic oxideisoindolinepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compound1,2-diolalcoholsecondary aliphatic amineazacycleisoindolesecondary aminemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesisoindole or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamine |
|---|
