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Compounds

COMPOUND NPA018301

STRUCTURE

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PROPERTIES

NPAID	NPA018301
CLUSTER ID	6027
NODE ID	4220
NAME	Bromosphaerone
FORMULA	C20H30Br2O3
MOLECULAR WEIGHT (Da)	478.2650
ACCURATE MASS (Da)	476.0562
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Staphylococcus
ORIGIN SPECIES	aureus
InChIKey	JGVFMEFXYFJJSK-KTPFSLFISA-N
InChI	InChI=1S/C20H30Br2O3/c1-11(2)12-5-6-13(23)16-17-18(3,7-8-20(12,16)10-21)14(22)9-15(24)19(17,4)25/h5-6,11-12,14-17,24-25H,7-10H2,1-4H3/t12-,14-,15-,16-,17-,18+,19+,20-/m0/s1
SMILES	CC(C)[C@@H]1C=CC(=O)[C@@H]2[C@@]1(CC[C@]3([C@H]2[C@]([C@H](C[C@@H]3Br)O)(C)O)C)CBr

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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