Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004257
PROPERTIES
| NPAID | NPA004257 |
|---|---|
| CLUSTER ID | 1267 |
| NODE ID | 1074 |
| NAME | Spinosulfate A |
| FORMULA | C34H52O12S2 |
| MOLECULAR WEIGHT (Da) | 716.9120 |
| ACCURATE MASS (Da) | 716.2900 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Unknown-bacterium |
| ORIGIN SPECIES | sp. |
| InChIKey | ZXOKOJPNQMQCSF-UHFFFAOYSA-N |
| InChI | InChI=1S/C34H52O12S2/c1-3-5-6-7-8-9-12-15-19-27-23-28(35)24-32(36)33(27)34(37)44-29(17-4-2)20-16-13-10-11-14-18-26-21-30(45-47(38,39)40)25-31(22-26)46-48(41,42)43/h21-25,29,35-36H,3-20H2,1-2H3,(H,38,39,40)(H,41,42,43) |
| SMILES | CCCCCCCCCCC1=CC(=CC(=C1C(=O)OC(CCC)CCCCCCCC2=CC(=CC(=C2)OS(=O)(=O)O)OS(=O)(=O)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | SHIBAZAKI, MITSUYOSHI; TANAKA, KOICHI; NAGAI, KOJI; WATANABE, MASATO; FUJITA, SHIGEO; SUZUKI, KENICHI; OKADA, GEN; YAMAMOTO, TOMOKO YM-92447 (Spinosulfate A), a Neuraminidase Inhibitor Produced by an Unidentified Pycnidial Fungus Journal of Antibiotics 2004 57 (12) 812-815. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.57.812 | PMID | 15745117 |
