Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA002112
PROPERTIES
| NPAID | NPA002112 |
|---|---|
| CLUSTER ID | 1291 |
| NODE ID | 1090 |
| NAME | (6E)-3,5-Dihydroxy-2,6-dimethyl-7-(2-methyl-1,3-thiazol-4-yl)-6-heptenoic acid |
| FORMULA | C13H19NO4S |
| MOLECULAR WEIGHT (Da) | 285.3650 |
| ACCURATE MASS (Da) | 285.1035 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Sorangium |
| ORIGIN SPECIES | cellulosum |
| InChIKey | DGVOKXGUGFTLRK-QPJJXVBHSA-N |
| InChI | InChI=1S/C13H19NO4S/c1-7(4-10-6-19-9(3)14-10)11(15)5-12(16)8(2)13(17)18/h4,6,8,11-12,15-16H,5H2,1-3H3,(H,17,18)/b7-4+ |
| SMILES | CC1=NC(=CS1)/C=C(\C)/C(CC(C(C)C(=O)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hardt; Steinmetz; Gerth; Sasse; Reichenbach; Hoefle New natural epothilones from Sorangium cellulosum, strains So ce90/B2 and So ce90/D13: Isolation, structure elucidation, and SAR studies Journal of Natural Products 2001 64 (7) 847-856. | ||
|---|---|---|---|
| DOI | 10.1021/np000629f | PMID | 11473410 |
