| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:00:17 UTC |
|---|
| Update Date | 2025-03-25 00:53:46 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02201887 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C19H20F2N4O8 |
|---|
| Molecular Mass | 470.1249 |
|---|
| SMILES | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)C(O)C(F)(F)C(=O)O)c2cc1C |
|---|
| InChI Key | KLRMWIQPZZHOME-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pteridines and derivatives |
|---|
| Subclass | alloxazines and isoalloxazines |
|---|
| Direct Parent | flavins |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl fluoridesalpha-halocarboxylic acidsazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdiazanaphthalenesfluorohydrinshalogenated fatty acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidslactamsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspyrazinespyrimidonesquinoxalinessecondary alcohols |
|---|
| Substituents | alpha-halocarboxylic acid or derivativesfatty acylcarbonyl grouplactamcarboxylic acidheterocyclic fatty acidfatty acidpyrimidonealpha-halocarboxylic acidfluorohydrincarboxylic acid derivativeorganohalogen compoundmedium-chain hydroxy acidflavinpyrimidinebeta-hydroxy acidorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalkyl halidemedium-chain fatty acidhydroxy fatty acidhalogenated fatty acidalcoholquinoxalinecarbonic acid derivativeazacyclehalohydrinalkyl fluorideorganofluorideheteroaromatic compoundhydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrazinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
