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Compounds

COMPOUND NPA008690

STRUCTURE

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PROPERTIES

NPAID	NPA008690
CLUSTER ID	92
NODE ID	87
NAME	4-Desmethyl-10,11-didehydroepothilone D
FORMULA	C26H37NO5S
MOLECULAR WEIGHT (Da)	475.6510
ACCURATE MASS (Da)	475.2392
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Myxococcus
ORIGIN SPECIES	xanthus
InChIKey	CMYNODDHYRKQSA-DRGBCKFCSA-N
InChI	InChI=1S/C26H37NO5S/c1-15-8-7-9-16(2)25(30)19(5)26(31)18(4)22(28)13-24(29)32-23(11-10-15)17(3)12-21-14-33-20(6)27-21/h7-8,10,12,14,16,18-19,22-23,25,28,30H,9,11,13H2,1-6H3/b8-7-,15-10-,17-12+/t16-,18?,19+,22-,23?,25-/m0/s1
SMILES	C[C@H]1C/C=C\C(=C/CC(OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)C)O)/C(=C/C2=CSC(=N2)C)/C)\C

ORIGINAL ISOLATION REFERENCE

CITATION	Starks, Courtney M.; Zhou, Yiqing; Liu, Fenghua; Licari, Peter J. Isolation and Characterization of New Epothilone Analogues from Recombinant Myxococcus xanthus Fermentations Journal of Natural Products 2003 66 (10) 1313-1317.
DOI	10.1021/np030218+	PMID	14575429

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	Myxococcaceae	LPSN	31
Genus	Myxococcus	LPSN	32

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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