Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014385
PROPERTIES
| NPAID | NPA014385 |
|---|---|
| CLUSTER ID | 1291 |
| NODE ID | 1089 |
| NAME | (Z)-3-hydroxy-5-methoxy-2,6-dimethyl-7-(2-methylthiazol-4-yl)hept-6-enoic acid |
| FORMULA | C14H21NO4S |
| MOLECULAR WEIGHT (Da) | 299.3920 |
| ACCURATE MASS (Da) | 299.1191 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Sorangium |
| ORIGIN SPECIES | cellulosum |
| InChIKey | QKYGZBTYBVYKRC-VMPITWQZSA-N |
| InChI | InChI=1S/C14H21NO4S/c1-8(5-11-7-20-10(3)15-11)13(19-4)6-12(16)9(2)14(17)18/h5,7,9,12-13,16H,6H2,1-4H3,(H,17,18)/b8-5+ |
| SMILES | CC1=NC(=CS1)/C=C(\C)/C(CC(C(C)C(=O)O)O)OC |
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 |
