Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027627
PROPERTIES
| NPAID | NPA027627 |
|---|---|
| CLUSTER ID | 8282 |
| NODE ID | 5630 |
| NAME | 12β-deoxygonyautoxin 3 |
| FORMULA | C10H18N7O7S+ |
| MOLECULAR WEIGHT (Da) | 380.3630 |
| ACCURATE MASS (Da) | 380.0983 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Anabaena |
| ORIGIN SPECIES | circinalis TA04 |
| InChIKey | CMLIMTOXQQYXEA-WMTVMBERSA-O |
| InChI | InChI=1S/C10H17N7O7S/c11-7-15-5-3(2-23-9(13)19)14-8(12)17-1-4(24-25(20,21)22)6(18)10(5,17)16-7/h3-6,18H,1-2H2,(H8,11,12,13,14,15,16,19,20,21,22)/p+1/t3-,4-,5+,6+,10-/m0/s1 |
| SMILES | NC(=O)OC[C@@H]1NC(N)=[N+]2C[C@H](OS(=O)(=O)O)[C@@H](O)[C@@]23NC(N)=N[C@H]13 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Minowa T; Cho Y; Oshima Y; Konoki K; Yotsu-Yamashita M Identification of a Novel Saxitoxin Analogue, 12β-Deoxygonyautoxin 3, in the Cyanobacterium, Anabaena circinalis (TA04). Toxins 2019 11 (9) None. | ||
|---|---|---|---|
| DOI | 10.3390/toxins11090539 | PMID | 31527551 |
