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CHEBI:65448 - ascidiathiazone A
| Formula | C12H8N2O6S |
| Net Charge | 0 |
| Average Mass | 308.271 |
| Monoisotopic Mass | 308.01031 |
| SMILES | O=C(O)c1ccc2c(n1)C(=O)C1=C(C2=O)S(=O)(=O)CCN1 |
| InChI | InChI=1S/C12H8N2O6S/c15-9-5-1-2-6(12(17)18)14-7(5)10(16)8-11(9)21(19,20)4-3-13-8/h1-2,13H,3-4H2,(H,17,18) |
| InChIKey | HNRNJVWZIQOLOL-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aplidium (ncbitaxon:201956) | - | PubMed (17497807) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | anti-inflammatory agent Any compound that has anti-inflammatory effects. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ascidiathiazone A (CHEBI:65448) has role anti-inflammatory agent (CHEBI:67079) |
| ascidiathiazone A (CHEBI:65448) has role metabolite (CHEBI:25212) |
| ascidiathiazone A (CHEBI:65448) is a p-quinones (CHEBI:25830) |
| ascidiathiazone A (CHEBI:65448) is a alkaloid (CHEBI:22315) |
| ascidiathiazone A (CHEBI:65448) is a monocarboxylic acid (CHEBI:25384) |
| ascidiathiazone A (CHEBI:65448) is a organic heterotricyclic compound (CHEBI:26979) |
| ascidiathiazone A (CHEBI:65448) is a sulfone (CHEBI:35850) |
| IUPAC Name |
|---|
| 5,10-dioxo-3,4,5,10-tetrahydro-2H-[1,4]thiazino[2,3-g]quinoline-7-carboxylic acid 1,1-dioxide |
| Synonym | Source |
|---|---|
| 2H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione, 3,4-dihydro-1,1-dioxo-7-carboxylic acid | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 9848678 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| Reaxys:11195368 | Reaxys |
| Citations |
|---|