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Compounds

ID	Spectrum Quality	Annotated Name
CCMSLIB00000839969	Bronze	Monactin
CCMSLIB00000851859	Gold	1!CCMSLIB00000851861
CCMSLIB00012125452	Gold	4
CCMSLIB00012125451	Gold	4
CCMSLIB00012125453	Gold	4
CCMSLIB00012125450	Gold	4
CCMSLIB00012125454	Gold	4
CCMSLIB00012125456	Gold	4
CCMSLIB00012125455	Gold	4
CCMSLIB00012125457	Gold	4
CCMSLIB00009965249	Gold	4
CCMSLIB00009965248	Gold	4
CCMSLIB00009965247	Gold	4
CCMSLIB00009965250	Gold	4
CCMSLIB00009965251	Gold	4
CCMSLIB00009965253	Gold	4
CCMSLIB00009965254	Gold	4
CCMSLIB00009965252	Gold	4
CCMSLIB00012133880	Gold	4
CCMSLIB00012133876	Gold	4
CCMSLIB00012133888	Gold	4
CCMSLIB00012133882	Gold	4
CCMSLIB00012133881	Gold	4
CCMSLIB00012133877	Gold	4
CCMSLIB00012133885	Gold	4
CCMSLIB00012133878	Gold	4
CCMSLIB00012133886	Gold	4
CCMSLIB00012133874	Gold	4
CCMSLIB00012133887	Gold	4
CCMSLIB00012133889	Gold	4
CCMSLIB00012133879	Gold	4
CCMSLIB00012133884	Gold	4
CCMSLIB00012133883	Gold	4
CCMSLIB00012133875	Gold	4
CCMSLIB00009973677	Gold	4
CCMSLIB00009973673	Gold	4
CCMSLIB00009973685	Gold	4
CCMSLIB00009973679	Gold	4
CCMSLIB00009973678	Gold	4
CCMSLIB00009973674	Gold	4
CCMSLIB00009973682	Gold	4
CCMSLIB00009973675	Gold	4
CCMSLIB00009973683	Gold	4
CCMSLIB00009973671	Gold	4
CCMSLIB00009973684	Gold	4
CCMSLIB00009973686	Gold	4
CCMSLIB00009973676	Gold	4
CCMSLIB00009973681	Gold	4
CCMSLIB00009973680	Gold	4
CCMSLIB00009973672	Gold	4

COMPOUND NPA005516

STRUCTURE

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PROPERTIES

NPAID	NPA005516
CLUSTER ID	564
NODE ID	503
NAME	Monactin
FORMULA	C41H66O12
MOLECULAR WEIGHT (Da)	750.9670
ACCURATE MASS (Da)	750.4554
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp.
InChIKey	YPUPRVWRYDPGCW-UHFFFAOYSA-N
InChI	InChI=1S/C41H66O12/c1-9-29-21-33-13-17-36(52-33)27(7)40(44)48-23(3)19-31-11-15-34(50-31)25(5)38(42)46-22(2)18-30-10-14-35(49-30)26(6)39(43)47-24(4)20-32-12-16-37(51-32)28(8)41(45)53-29/h22-37H,9-21H2,1-8H3
SMILES	CCC1CC2CCC(O2)C(C(=O)OC(CC3CCC(O3)C(C(=O)OC(CC4CCC(O4)C(C(=O)OC(CC5CCC(O5)C(C(=O)O1)C)C)C)C)C)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Gerlach, Hans; Prelog, Vladimir Über die konfiguration der nonactinsäure European Journal of Organic Chemistry 1963 669 (1) 121-135.
DOI	10.1002/jlac.19636690114	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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