Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000001773 | Gold | 1 |
COMPOUND NPA003445
PROPERTIES
| NPAID | NPA003445 |
|---|---|
| CLUSTER ID | 582 |
| NODE ID | 518 |
| NAME | Tumonoic acid E |
| FORMULA | C18H31NO4 |
| MOLECULAR WEIGHT (Da) | 325.4490 |
| ACCURATE MASS (Da) | 325.2253 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Blennothrix |
| ORIGIN SPECIES | cantharidosmum |
| InChIKey | UUFOMZNZQYHUJH-XTVPCCRVSA-N |
| InChI | InChI=1S/C18H31NO4/c1-5-6-8-12(2)11-13(3)16(20)14(4)17(21)19-10-7-9-15(19)18(22)23/h11-12,14-16,20H,5-10H2,1-4H3,(H,22,23)/b13-11+/t12?,14?,15-,16?/m0/s1 |
| SMILES | CCCCC(C)/C=C(\C)/C(C(C)C(=O)N1CCC[C@H]1C(=O)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 |
