Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027431
PROPERTIES
| NPAID | NPA027431 |
|---|---|
| CLUSTER ID | 8268 |
| NODE ID | 5618 |
| NAME | Deoxycylindrospermopsin |
| FORMULA | C15H21N5O6S |
| MOLECULAR WEIGHT (Da) | 399.4290 |
| ACCURATE MASS (Da) | 399.1213 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Cylindrospermopsis |
| ORIGIN SPECIES | raciborskii |
| InChIKey | WMFMYMFKTSBHJI-TYGHHOAHSA-N |
| InChI | InChI=1S/C15H21N5O6S/c1-7-11-6-16-14-17-8(2-9-4-13(21)19-15(22)18-9)3-10(20(11)14)5-12(7)26-27(23,24)25/h7-8,10-12H,2-6H2,1H3,(H,16,17)(H,19,21,22)(H,23,24,25)/t7-,8+,10+,11?,12+/m1/s1 |
| SMILES | C[C@@H]1C2CN=C3N[C@@H](CC4=NC(=O)NC(=O)C4)C[C@@H](C[C@@H]1OS(=O)(=O)O)N32 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Norris, R.L., Eaglesham, G.K., Pierens, G., Shaw, G.R., Smith, M.J., Chiswell, R.K., Seawright, A.A. and Moore, M.R. Deoxycylindrospermopsin, an analog of cylindrospermopsin from Cylindrospermopsis raciborskii Environmental Toxicology 1999 None. | ||
|---|---|---|---|
| DOI | 10.1002/(SICI)1522-7278(199902)14:1<163::AID-TOX21>3.0.CO;2-V | PMID | - |
