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Compounds

COMPOUND NPA000901

STRUCTURE

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PROPERTIES

NPAID	NPA000901
CLUSTER ID	630
NODE ID	560
NAME	Sphaerolabdadiene-3,14-diol
FORMULA	C20H33BrO2
MOLECULAR WEIGHT (Da)	385.3860
ACCURATE MASS (Da)	384.1664
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Staphylococcus
ORIGIN SPECIES	aureus
InChIKey	UXNHALFPXFVTMG-UHFFFAOYSA-N
InChI	InChI=1S/C20H33BrO2/c1-7-19(5,23)12-10-16-15(4)8-9-18(21)20(16,6)13-11-17(22)14(2)3/h7-8,16-18,22-23H,1-2,9-13H2,3-6H3
SMILES	CC1=CCC(C(C1CCC(C)(C=C)O)(C)CCC(C(=C)C)O)Br

ORIGINAL ISOLATION REFERENCE

CITATION	Etahiri, S; Bultel-Poncé, V; Caux, C; Guyot, M New bromoditerpenes from the red alga Sphaerococcus coronopifolius Journal of Natural Products 2001 64 (8) 1024-1027.
DOI	10.1021/np0002684	PMID	11520219

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	Staphylococcaceae	LPSN	90964
Genus	Staphylococcus	LPSN	1279

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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