| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:51:07 UTC |
|---|
| Update Date | 2025-03-25 00:50:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02181068 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H16N4O7 |
|---|
| Molecular Mass | 376.1019 |
|---|
| SMILES | O=C(O)CC(O)CC(O)Cn1c2nc(=O)[nH]c(=O)c-2nc2cc(O)ccc21 |
|---|
| InChI Key | HXPAVPRTISTPTB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pteridines and derivatives |
|---|
| Subclass | alloxazines and isoalloxazines |
|---|
| Direct Parent | alloxazines and isoalloxazines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsamino fatty acidsazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdiazanaphthalenesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidslactamsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrazinespyrimidonesquinoxalinessecondary alcohols |
|---|
| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidheterocyclic fatty acid1-hydroxy-2-unsubstituted benzenoidfatty acidpyrimidonecarboxylic acid derivativeisoalloxazinemedium-chain hydroxy acidpyrimidinebeta-hydroxy acidorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidalcoholquinoxalinecarbonic acid derivativeazacycleheteroaromatic compoundhydroxy acidamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrazinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
