Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00003740012 | Gold | 3 |
| CCMSLIB00003740013 | Gold | 3 |
| CCMSLIB00003740014 | Gold | 3 |
COMPOUND NPA026700
PROPERTIES
| NPAID | NPA026700 |
|---|---|
| CLUSTER ID | 7553 |
| NODE ID | 5167 |
| NAME | (±)-tetrodotoxin |
| FORMULA | C11H17N3O8 |
| MOLECULAR WEIGHT (Da) | 319.2700 |
| ACCURATE MASS (Da) | 319.1016 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | sp. 1839 |
| InChIKey | CFMYXEVWODSLAX-HUILCFQTSA-N |
| InChI | InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3?,4-,5+,6-,7+,9+,10-,11+/m1/s1 |
| SMILES | NC1=N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H](C(O)[C@@]2(N1)[C@@H]4O)[C@]3(O)CO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Melnikova, Daria I.; Vlasenko, Anna E.; Magarlamov, Timur Yu. Stable tetrodotoxin production by Bacillus sp. Strain 1839 Marine Drugs 2019 17 (12) None. | ||
|---|---|---|---|
| DOI | 10.3390/md17120704 | PMID | 31847253 |
