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Compounds

COMPOUND NPA016055

STRUCTURE

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PROPERTIES

NPAID	NPA016055
CLUSTER ID	92
NODE ID	87
NAME	Epothilone F
FORMULA	C27H41NO7S
MOLECULAR WEIGHT (Da)	523.6920
ACCURATE MASS (Da)	523.2604
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Sorangium
ORIGIN SPECIES	cellulosum
InChIKey	UKIMCRYGLFQEOE-RGJAOAFDSA-N
InChI	InChI=1S/C27H41NO7S/c1-15-8-7-9-27(6)21(35-27)11-19(16(2)10-18-14-36-22(13-29)28-18)34-23(31)12-20(30)26(4,5)25(33)17(3)24(15)32/h10,14-15,17,19-21,24,29-30,32H,7-9,11-13H2,1-6H3/b16-10+/t15-,17+,19-,20-,21-,24-,27+/m0/s1
SMILES	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)CO)/C)C

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

SYNTHESES

CITATION 1	Nicolaou KC; Hepworth D; King NP; Finlay MR; Scarpelli R; Pereira MM; Bollbuck B; Bigot A; Werschkun B; Winssinger N Total synthesis of 16-desmethylepothilone B, epothilone B10, epothilone F, and related side chain modified epothilone B analogues. Chemistry - A European Journal 2000 6 (15) 2783-2800. DOI: 10.1002/1521-3765(20000804)6:15<2783::aid-chem2783>3.0.co;2-b PMID: 10985727

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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