Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA008181
PROPERTIES
NPAID | NPA008181 |
---|---|
CLUSTER ID | 8 |
NODE ID | 8 |
NAME | (1Z,3S,5E,10S,11R)-2,6,10-trimethyl-1-(2-methylthiazol-4-yl)trideca-1,5-diene-3,11-diol |
FORMULA | C20H33NO2S |
MOLECULAR WEIGHT (Da) | 351.5560 |
ACCURATE MASS (Da) | 351.2232 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Sorangium |
ORIGIN SPECIES | cellulosum |
InChIKey | QLPPQPNJLHXPOV-KTZDFZCUSA-N |
InChI | InChI=1S/C20H33NO2S/c1-6-19(22)15(3)9-7-8-14(2)10-11-20(23)16(4)12-18-13-24-17(5)21-18/h10,12-13,15,19-20,22-23H,6-9,11H2,1-5H3/b14-10-,16-12+/t15-,19+,20-/m0/s1 |
SMILES | CC[C@H]([C@@H](C)CCC/C(=C\C[C@@H](/C(=C/C1=CSC(=N1)C)/C)O)/C)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. | ||
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DOI | 10.1021/np000629f | PMID | 11473410 |