| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:52:28 UTC |
|---|
| Update Date | 2025-03-21 18:03:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00044461 |
|---|
| Frequency | 81.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H6N4O3 |
|---|
| Molecular Mass | 182.044 |
|---|
| SMILES | Cn1[nH]c(=O)c2c(=O)[nH]c(=O)[nH]c21 |
|---|
| InChI Key | QRTBWSCETQIWBN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | imidazopyrimidines |
|---|
| Subclass | purines and purine derivatives |
|---|
| Direct Parent | xanthines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkaloids and derivativesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrazolespyrazolo[3,4-d]pyrimidinespyrazolonespyrimidonesvinylogous amides |
|---|
| Substituents | pyrazolo[3,4-d]pyrimidinevinylogous amidecarbonic acid derivativelactamazacycleheteroaromatic compoundpyrimidonexanthinepyrazolepyrimidineorganic oxidealkaloid or derivativespyrazolopyrimidineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundazolepyrazolinone |
|---|
