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Compounds

ID	Spectrum Quality	Annotated Name
CCMSLIB00003136537	Gold	3
CCMSLIB00003138151	Gold	3
CCMSLIB00012141839	Gold	4
CCMSLIB00009981636	Gold	4
CCMSLIB00010111110	Gold	3
CCMSLIB00010111111	Gold	3
CCMSLIB00010111112	Gold	3
CCMSLIB00010122445	Gold	3
CCMSLIB00010122446	Gold	3
CCMSLIB00010122447	Gold	3

COMPOUND NPA008306

STRUCTURE

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PROPERTIES

NPAID	NPA008306
CLUSTER ID	589
NODE ID	525
NAME	Salinomycin
FORMULA	C42H70O11
MOLECULAR WEIGHT (Da)	751.0110
ACCURATE MASS (Da)	750.4918
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	albus ATCC 21838
InChIKey	KQXDHUJYNAXLNZ-XQSDOZFQSA-N
InChI	InChI=1S/C42H70O11/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47)/t23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,33+,34+,36+,37-,39-,40+,41-,42-/m0/s1
SMILES	CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)O)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C

ORIGINAL ISOLATION REFERENCE

CITATION	Miyazaki; Shibuya; Sugawara; Kawaguchi; Hirsoe Salinomycin, a new polyether antibiotic Journal of Antibiotics 1974 27 (11) 814-821.
DOI	10.7164/antibiotics.27.814	PMID	4452657

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

REVISIONS

VERSION	SMILES	CITATION
Original Isolation	CC[C@H](C(=O)O)[C@H]1CC[C@H](C)[C@H]([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)C2OC3(C=C[C@@H](O)[C@]4(CC[C@@](C)([C@H]5CC[C@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)O1	Miyazaki; Shibuya; Sugawara; Kawaguchi; Hirsoe Salinomycin, a new polyether antibiotic Journal of Antibiotics 1974 27 (11) 814-821. DOI: 10.7164/antibiotics.27.814 PMID: 4452657
2	CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)O)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C	Versini, Antoine; Saier, Lou; Sindikubwabo, Fabien; Müller, Sebastian; Cañeque, Tatiana; Rodriguez, Raphaël Chemical biology of salinomycin Tetrahedron 2018 74 (39) 5585-5614. DOI: 10.1016/j.tet.2018.07.028

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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