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Compounds

COMPOUND NPA003794

STRUCTURE

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PROPERTIES

NPAID	NPA003794
CLUSTER ID	1055
NODE ID	908
NAME	Sporulene B
FORMULA	C35H54
MOLECULAR WEIGHT (Da)	474.8170
ACCURATE MASS (Da)	474.4226
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Bacillus
ORIGIN SPECIES	sp. SNA-60-367
InChIKey	ZRZKSUXNULZPHV-ATJBQKKCSA-N
InChI	InChI=1S/C35H54/c1-24-10-14-27(15-11-24)25(2)12-16-28-26(3)13-17-30-33(28,6)22-19-31-34(7)21-9-20-32(4,5)29(34)18-23-35(30,31)8/h10-11,14-15,25,28-31H,3,9,12-13,16-23H2,1-2,4-8H3/t25-,28+,29+,30-,31-,33-,34+,35+/m1/s1
SMILES	CC1=CC=C(C=C1)[C@H](C)CC[C@H]2C(=C)CC[C@@H]3[C@@]2(CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Kontnik, Renee; Bosak, Tanja; Butcher, Rebecca A; Brocks, Jochen J; Losick, Richard; Clardy, Jon; Pearson, Ann Sporulenes, heptaprenyl metabolites from Bacillus subtilis spores Organic Letters 2008 10 (16) 3551-3554.
DOI	10.1021/ol801314k	PMID	18630919

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Firmicutes	LPSN	1239
Class	Bacilli	LPSN	91061
Order	Bacillales	LPSN	1385
Family	Bacillaceae	LPSN	186817
Genus	Bacillus	LPSN	1386

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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