| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:07:31 UTC |
|---|
| Update Date | 2025-03-25 00:56:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02218725 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H8N2O5S |
|---|
| Molecular Mass | 256.0154 |
|---|
| SMILES | Cn1c(=O)[nH]c2ccc(S(=O)(=O)O)cc2c1=O |
|---|
| InChI Key | OSPVXRNOSWITFA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | diazanaphthalenes |
|---|
| Subclass | benzodiazines |
|---|
| Direct Parent | quinazolines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesazacyclic compoundsbenzenoidsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidspyrimidonessulfonylsvinylogous amides |
|---|
| Substituents | organosulfonic acid or derivativeslactamorganosulfonic acidpyrimidoneorganosulfur compoundpyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundvinylogous amidecarbonic acid derivative1-sulfo,2-unsubstituted aromatic compoundazacycleheteroaromatic compoundsulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundquinazolineorganooxygen compound |
|---|
