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Compounds

COMPOUND NPA010501

STRUCTURE

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PROPERTIES

NPAID	NPA010501
CLUSTER ID	93
NODE ID	88
NAME	Epothilone C2
FORMULA	C25H37NO5S
MOLECULAR WEIGHT (Da)	463.6400
ACCURATE MASS (Da)	463.2392
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Sorangium
ORIGIN SPECIES	cellulosum
InChIKey	GGEZPMGQYPDHAV-PPIKOIBXSA-N
InChI	InChI=1S/C25H37NO5S/c1-15-10-8-6-7-9-11-22(16(2)12-20-14-32-19(5)26-20)31-23(28)13-21(27)17(3)25(30)18(4)24(15)29/h7,9,12,14-15,17-18,21-22,24,27,29H,6,8,10-11,13H2,1-5H3/b9-7-,16-12+/t15-,17-,18+,21-,22-,24-/m0/s1
SMILES	C[C@H]1CCC/C=C\C[C@H](OC(=O)C[C@@H]([C@@H](C(=O)[C@@H]([C@H]1O)C)C)O)/C(=C/C2=CSC(=N2)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

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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