Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007052
PROPERTIES
| NPAID | NPA007052 |
|---|---|
| CLUSTER ID | 248 |
| NODE ID | 11 |
| NAME | Circumcin B |
| FORMULA | C16H16O4 |
| MOLECULAR WEIGHT (Da) | 272.3000 |
| ACCURATE MASS (Da) | 272.1049 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Gordonia |
| ORIGIN SPECIES | sp. 647W.R.1a.05 |
| InChIKey | GHFNRZWUUPDAKZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C16H16O4/c17-13-5-1-11(2-6-13)9-15(19)16(20)10-12-3-7-14(18)8-4-12/h1-8,15,17-19H,9-10H2 |
| SMILES | C1=CC(=CC=C1CC(C(=O)CC2=CC=C(C=C2)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Lin, Zhenjian; Marett, Lenny; Hughen, Ronald W; Flores, Malem; Forteza, Imelda; Ammon, Mary Anne; Concepcion, Gisela P; Espino, Samuel; Olivera, Baldomero M; Rosenberg, Gary; Haygood, Margo G; Light, Alan R; Schmidt, Eric W Neuroactive diol and acyloin metabolites from cone snail-associated bacteria. Bioorganic and Medicinal Chemistry Letters 2013 23 (17) 4867-4869. | ||
|---|---|---|---|
| DOI | 10.1016/j.bmcl.2013.06.088 | PMID | 23880542 |
