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Compounds

COMPOUND NPA025179

STRUCTURE

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PROPERTIES

NPAID	NPA025179
CLUSTER ID	4362
NODE ID	3207
NAME	Methyl troposulfenin
FORMULA	C9H6O3S2
MOLECULAR WEIGHT (Da)	226.2780
ACCURATE MASS (Da)	225.9758
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Phaeobacter
ORIGIN SPECIES	inhibens
InChIKey	BMECXPFQKLRLQJ-UHFFFAOYSA-N
InChI	InChI=1S/C9H6O3S2/c1-13-6-4-2-3-5(10)7-8(6)14-12-9(7)11/h2-4H,1H3
SMILES	CSC1=CC=CC(=O)C2=C1SOC2=O

ORIGINAL ISOLATION REFERENCE

CITATION	Phippen CBW; Jørgensen CM; Bentzon-Tilia M; Gotfredsen CH; Larsen TO; Gram L; Sonnenschein EC Isolation of Methyl Troposulfenin from Phaeobacter inhibens. Journal of Natural Products 2019 82 (5) 1387-1390.
DOI	10.1021/acs.jnatprod.8b01097	PMID	30978024

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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