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Compounds

COMPOUND NPA008181

STRUCTURE
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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.
DOI 10.1021/np000629f PMID 11473410
ORIGINAL ISOLATION TAXONOMY
RANK NAME DB LINK NCBI
Domain Bacteria LPSN 2
Phylum Proteobacteria LPSN 1224
Class Deltaproteobacteria LPSN 28221
Order Myxococcales LPSN 29
Family Polyangiaceae LPSN 49
Genus Sorangium LPSN 39643
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