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Compounds

COMPOUND NPA011137

STRUCTURE

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PROPERTIES

NPAID	NPA011137
CLUSTER ID	93
NODE ID	88
NAME	8-demethyl epothilone A 3-α-D-arabinofuranoside
FORMULA	C30H45NO10S
MOLECULAR WEIGHT (Da)	611.7540
ACCURATE MASS (Da)	611.2764
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Sorangium
ORIGIN SPECIES	cellulosum
InChIKey	KIRUUCDTXBZETK-IZLMMKDCSA-N
InChI	InChI=1S/C30H45NO10S/c1-15(10-18-14-42-17(3)31-18)21-11-22-20(38-22)9-7-6-8-19(33)16(2)28(37)30(4,5)24(12-25(34)39-21)41-29-27(36)26(35)23(13-32)40-29/h10,14,16,19-24,26-27,29,32-33,35-36H,6-9,11-13H2,1-5H3/b15-10+/t16-,19+,20-,21+,22+,23-,24+,26-,27?,29-/m1/s1
SMILES	C[C@@H]1[C@H](CCCC[C@@H]2[C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C1=O)(C)C)O[C@@H]3C([C@@H]([C@H](O3)CO)O)O)/C(=C/C4=CSC(=N4)C)/C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Wang, Jidong; Zhang, Hui; Ying, Linping; Wang, Chuanxi; Jiang, Nan; Zhou, Yue; Wang, Haibin; Bai, Hua Five new epothilone metabolites from Sorangium cellulosum strain So0157-2 Journal of Antibiotics 2009 62 (9) 483-487.
DOI	10.1038/ja.2009.55	PMID	19575038

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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