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Compounds

COMPOUND NPA002171

STRUCTURE

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PROPERTIES

NPAID	NPA002171
CLUSTER ID	664
NODE ID	590
NAME	Bafilomycin B1
FORMULA	C44H65NO13
MOLECULAR WEIGHT (Da)	815.9980
ACCURATE MASS (Da)	815.4456
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	griseus ssp. sulphurus
InChIKey	KFUFLYSBMNNJTF-UNPKUBMASA-N
InChI	InChI=1S/C44H65NO13/c1-23(2)41-28(7)35(56-37(49)18-17-36(48)45-38-31(46)15-16-32(38)47)22-44(53,58-41)30(9)40(51)29(8)42-33(54-10)14-12-13-24(3)19-26(5)39(50)27(6)20-25(4)21-34(55-11)43(52)57-42/h12-14,17-18,20-21,23,26-30,33,35,39-42,46,50-51,53H,15-16,19,22H2,1-11H3,(H,45,48)/b14-12+,18-17+,24-13+,25-20+,34-21-
SMILES	CC1C/C(=C/C=C/C(C(OC(=O)/C(=C/C(=C/C(C1O)C)/C)/OC)C(C)C(C(C)C2(CC(C(C(O2)C(C)C)C)OC(=O)/C=C/C(=O)NC3=C(CCC3=O)O)O)O)OC)/C

ORIGINAL ISOLATION REFERENCE

CITATION	Werner, Gerhard; Hagenmaier, Hanspaul; Albert, Klaus; Kohlshorn, Heinz; Drautz, Hannelore THE STRUCTURE OF THE BAFILOMYCINS, A NEW GROUP OF MACROLIDE ANTIBIOTICS Tetrahedron Letters 1983 24 (47) 5193-5196.
DOI	10.1016/s0040-4039(00)88394-x	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Streptomycetales	LPSN	85011
Family	Streptomycetaceae	LPSN	2062
Genus	Streptomyces	LPSN	1883

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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