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Compounds

COMPOUND NPA003827

STRUCTURE

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PROPERTIES

NPAID	NPA003827
CLUSTER ID	8
NODE ID	8
NAME	(1E,3S,5Z,10S,11R)-2,10-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)trideca-1,5-diene-3,11-diol
FORMULA	C19H31NO2S
MOLECULAR WEIGHT (Da)	337.5290
ACCURATE MASS (Da)	337.2076
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Sorangium
ORIGIN SPECIES	cellulosum
InChIKey	YOYVHKGMPQHDRT-FDSBDQJMSA-N
InChI	InChI=1S/C19H31NO2S/c1-5-18(21)14(2)10-8-6-7-9-11-19(22)15(3)12-17-13-23-16(4)20-17/h7,9,12-14,18-19,21-22H,5-6,8,10-11H2,1-4H3/b9-7-,15-12+/t14-,18+,19-/m0/s1
SMILES	CC[C@H]([C@@H](C)CCC/C=C\C[C@@H](/C(=C/C1=CSC(=N1)C)/C)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

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

CLASSYFIRE

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DESCRIPTION	[[ getValue('description') ]]
KINGDOM	[[ getValue('kingdom') ]]
SUPER CLASS	[[ getValue('superclass') ]]
CLASS	[[ getValue('class') ]]
SUB CLASS	[[ getValue('subclass') ]]
MOLECULAR FRAMEWORK	[[ getValue('molecular_framework') ]]

NP CLASSIFIER

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SUPER CLASS	[[ getValue('superclass_results') ]]
CLASS	[[ getValue('class_results') ]]
PATHWAY	[[ getValue('pathway_results') ]]
IS GLYCOSIDE?	[[ getValue('isglycoside') ]]

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