Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009219
PROPERTIES
| NPAID | NPA009219 |
|---|---|
| CLUSTER ID | 1203 |
| NODE ID | 1023 |
| NAME | Crossbyanol C |
| FORMULA | C30H15Br7O9S |
| MOLECULAR WEIGHT (Da) | 1110.8360 |
| ACCURATE MASS (Da) | 1103.4720 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Leptolyngbya |
| ORIGIN SPECIES | crossbyana |
| InChIKey | ZEPFKNVSWFBTOK-UHFFFAOYSA-N |
| InChI | InChI=1S/C30H15Br7O9S/c31-14-1-5-23(19(34)9-14)43-27-13-17(42-16-3-4-22(38)18(33)11-16)12-21(36)29(27)45-25-7-8-26(46-47(39,40)41)30(28(25)37)44-24-6-2-15(32)10-20(24)35/h1-13,38H,(H,39,40,41) |
| 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)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 |
