Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000001583 | Gold | 1 |
| CCMSLIB00000001585 | Gold | 1 |
| CCMSLIB00000006900 | Gold | 1 |
COMPOUND NPA009766
PROPERTIES
| NPAID | NPA009766 |
|---|---|
| CLUSTER ID | 582 |
| NODE ID | 518 |
| NAME | Tumonoic acid I |
| FORMULA | C27H47NO7 |
| MOLECULAR WEIGHT (Da) | 497.6730 |
| ACCURATE MASS (Da) | 497.3353 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Blennothrix |
| ORIGIN SPECIES | cantharidosmum |
| InChIKey | LWUJNFXMOSWRGO-PIKKEMSPSA-N |
| InChI | InChI=1S/C27H47NO7/c1-8-11-13-17(4)16-20(7)24(29)28-15-12-14-21(28)26(32)35-23(19(6)10-3)27(33)34-22(25(30)31)18(5)9-2/h17-23H,8-16H2,1-7H3,(H,30,31)/t17?,18-,19-,20?,21-,22-,23+/m0/s1 |
| SMILES | CCCCC(C)CC(C)C(=O)N1CCC[C@H]1C(=O)O[C@H]([C@@H](C)CC)C(=O)O[C@@H]([C@@H](C)CC)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Clark, Benjamin R.; Engene, Niclas; Teasdale, Margaret E.; Rowley, David C.; Matainaho, Teatulohi; Valeriote, Frederick A.; Gerwick, William H. Natural products chemistry and taxonomy of the marine cyanobacterium Blennothrix cantharidosmum Journal of Natural Products 2008 71 (9) 1530-1537. | ||
|---|---|---|---|
| DOI | 10.1021/np800088a | PMID | 18698821 |
