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Compounds

ID	Spectrum Quality	Annotated Name
CCMSLIB00004698310	Bronze	bonactin
CCMSLIB00004686455	Bronze	bonactin
CCMSLIB00004686456	Bronze	bonactin
CCMSLIB00004686457	Bronze	bonactin
CCMSLIB00004686458	Bronze	bonactin
CCMSLIB00004698303	Bronze	bonactin
CCMSLIB00004698304	Bronze	bonactin
CCMSLIB00004698305	Bronze	bonactin
CCMSLIB00004698306	Bronze	bonactin
CCMSLIB00004698307	Bronze	bonactin
CCMSLIB00004698308	Bronze	bonactin
CCMSLIB00004698311	Bronze	bonactin
CCMSLIB00004698312	Bronze	bonactin
CCMSLIB00004698313	Bronze	bonactin
CCMSLIB00004698314	Bronze	bonactin
CCMSLIB00004698315	Bronze	bonactin
CCMSLIB00004698316	Bronze	bonactin
CCMSLIB00004698317	Bronze	bonactin
CCMSLIB00004698309	Bronze	bonactin
CCMSLIB00000846078	Gold	1!CCMSLIB00000846079
CCMSLIB00005722317	Gold	3
CCMSLIB00005722318	Gold	3
CCMSLIB00005722320	Gold	3
CCMSLIB00005722321	Gold	3
CCMSLIB00005722322	Gold	3
CCMSLIB00005722319	Gold	3
CCMSLIB00012130223	Gold	4
CCMSLIB00012130225	Gold	4
CCMSLIB00012130224	Gold	4
CCMSLIB00012130226	Gold	4
CCMSLIB00012130227	Gold	4
CCMSLIB00012130228	Gold	4
CCMSLIB00012130229	Gold	4
CCMSLIB00009970020	Gold	4
CCMSLIB00009970022	Gold	4
CCMSLIB00009970021	Gold	4
CCMSLIB00009970023	Gold	4
CCMSLIB00009970024	Gold	4
CCMSLIB00009970025	Gold	4
CCMSLIB00009970026	Gold	4
CCMSLIB00012130230	Gold	4
CCMSLIB00009970027	Gold	4

COMPOUND NPA014740

STRUCTURE

Image structure

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PROJECT MOLECULE TO GLOBAL VIEW	See Global

EXTERNAL LINKS

PROPERTIES

NPAID	NPA014740
CLUSTER ID	1818
NODE ID	1472
NAME	Bonactin
FORMULA	C21H36O7
MOLECULAR WEIGHT (Da)	400.5120
ACCURATE MASS (Da)	400.2461
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp. BD21-2
InChIKey	JZCRGJSEBZCNAR-UHFFFAOYSA-N
InChI	InChI=1S/C21H36O7/c1-5-15(22)11-17-7-9-19(28-17)14(4)21(25)26-12(2)10-16-6-8-18(27-16)13(3)20(23)24/h12-19,22H,5-11H2,1-4H3,(H,23,24)
SMILES	CCC(CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Schumacher, Robert W.; Talmage, Stephanie C.; Miller, Sara A.; Sarris, Katie E.; Davidson, Bradley S.; Goldberg, Arthur Isolation and structure determination of an antimicrobial ester from a marine sediment-derived bacterium Journal of Natural Products 2003 66 (9) 1291-1293.
DOI	10.1021/np020594e	PMID	14510621

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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