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Compounds

COMPOUND NPA012648

STRUCTURE

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PROPERTIES

NPAID	NPA012648
CLUSTER ID	518
NODE ID	463
NAME	Roseobacticide I
FORMULA	C21H14O3S
MOLECULAR WEIGHT (Da)	346.4070
ACCURATE MASS (Da)	346.0664
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Phaeobacter
ORIGIN SPECIES	gallaeciensis
InChIKey	RYRPTUOWESQQKQ-UHFFFAOYSA-N
InChI	InChI=1S/C21H14O3S/c22-15-9-11-16(12-10-15)25-17-7-4-8-18-19(13-17)24-21(23)20(18)14-5-2-1-3-6-14/h1-13,22H
SMILES	C1=CC=C(C=C1)C2=C3C=CC=C(C=C3OC2=O)SC4=CC=C(C=C4)O

ORIGINAL ISOLATION REFERENCE

CITATION	Seyedsayamdost, Mohammad R.; Carr, Gavin; Kolter, Roberto; Clardy, Jon Roseobacticides: Small molecule modulators of an algal-bacterial symbiosis Journal of the American Chemical Society 2011 133 (45) 18343-18349.
DOI	10.1021/ja207172s	PMID	21928816

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Alphaproteobacteria	LPSN	28211
Order	Rhodobacterales	LPSN	204455
Family	Rhodobacteraceae	LPSN	31989
Genus	Phaeobacter	LPSN	302485

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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