Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009050
PROPERTIES
| NPAID | NPA009050 |
|---|---|
| CLUSTER ID | 966 |
| NODE ID | 833 |
| NAME | Thiasporine A |
| FORMULA | C10H8N2O2S |
| MOLECULAR WEIGHT (Da) | 220.2530 |
| ACCURATE MASS (Da) | 220.0306 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Actinomycetospora |
| ORIGIN SPECIES | chlora SNC-032 |
| InChIKey | IDMDDXVOMOUYTF-UHFFFAOYSA-N |
| InChI | InChI=1S/C10H8N2O2S/c11-7-4-2-1-3-6(7)9-12-8(5-15-9)10(13)14/h1-5H,11H2,(H,13,14) |
| SMILES | NC1=CC=CC=C1C1=NC(C(=O)O)=CS1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Fu, Peng; MacMillan, John B. Thiasporines A-C, Thiazine and Thiazole Derivatives from a Marine-Derived Actinomycetospora chlora Journal of Natural Products 2015 78 (3) 548-551. | ||
|---|---|---|---|
| DOI | 10.1021/np500929z | PMID | 25584783 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | COC1=CSC(=NC1=O)C2=CC=CC=C2N | Fu, Peng; MacMillan, John B. Thiasporines A-C, Thiazine and Thiazole Derivatives from a Marine-Derived Actinomycetospora chlora Journal of Natural Products 2015 78 (3) 548-551. DOI: 10.1021/np500929z PMID: 25584783 | ||
| 2 | NC1=CC=CC=C1C1=NC(C(=O)O)=CS1 | Seitz, Tobias; Fu, Peng; Haut, Franz-Lucas; Adam, Lutz; Habicht, Marija; Lentz, Dieter; MacMillan, John B; Christmann, Mathias One-Pot Synthesis of 5-Hydroxy-4H-1,3-thiazin-4-ones: Structure Revision, Synthesis, and NMR Shift Dependence of Thiasporine A. Organic Letters 2016 18 (13) 3070-3. DOI: 10.1021/acs.orglett.6b01166 PMID: 27286418 | ||
