Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013138
PROPERTIES
| NPAID | NPA013138 |
|---|---|
| CLUSTER ID | 1203 |
| NODE ID | 1023 |
| NAME | Crossbyanol B |
| FORMULA | C30H15Br7O12S2 |
| MOLECULAR WEIGHT (Da) | 1190.9000 |
| ACCURATE MASS (Da) | 1183.4289 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Leptolyngbya |
| ORIGIN SPECIES | crossbyana |
| InChIKey | PGLDWZUFBSDOEM-UHFFFAOYSA-N |
| InChI | InChI=1S/C30H15Br7O12S2/c31-14-1-4-22(18(33)9-14)45-27-13-17(44-16-3-6-24(20(35)11-16)48-50(38,39)40)12-21(36)29(27)47-25-7-8-26(49-51(41,42)43)30(28(25)37)46-23-5-2-15(32)10-19(23)34/h1-13H,(H,38,39,40)(H,41,42,43) |
| SMILES | C1=CC(=C(C=C1OC2=CC(=C(C(=C2)Br)OC3=C(C(=C(C=C3)OS(=O)(=O)O)OC4=C(C=C(C=C4)Br)Br)Br)OC5=C(C=C(C=C5)Br)Br)Br)OS(=O)(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Choi, Hyukjae; Engene, Niclas; Smith, Jennifer E.; Preskitt, Linda B.; Gerwick, William H. Crossbyanols A-D, toxic brominated polyphenyl ethers from the hawai'ian bloom-forming cyanobacterium leptolyngbya crossbyana Journal of Natural Products 2010 73 (4) 517-522. | ||
|---|---|---|---|
| DOI | 10.1021/np900661g | PMID | 20170122 |
