Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013590
PROPERTIES
| NPAID | NPA013590 |
|---|---|
| CLUSTER ID | 1291 |
| NODE ID | 1089 |
| NAME | (6E)-3,5-Dihydroxy-6-methyl-7-(2-methyl-1,3-thiazol-4-yl)-6-heptenoic acid |
| FORMULA | C12H17NO4S |
| MOLECULAR WEIGHT (Da) | 271.3380 |
| ACCURATE MASS (Da) | 271.0878 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Sorangium |
| ORIGIN SPECIES | cellulosum |
| InChIKey | SUXRZNCKCABHKR-XVNBXDOJSA-N |
| InChI | InChI=1S/C12H17NO4S/c1-7(3-9-6-18-8(2)13-9)11(15)4-10(14)5-12(16)17/h3,6,10-11,14-15H,4-5H2,1-2H3,(H,16,17)/b7-3+ |
| SMILES | CC1=NC(=CS1)/C=C(\C)/C(CC(CC(=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 |
