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Compounds

COMPOUND NPA012899

STRUCTURE

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PROPERTIES

NPAID	NPA012899
CLUSTER ID	248
NODE ID	11
NAME	N-acetyl-β-oxotryptamine
FORMULA	C12H12N2O2
MOLECULAR WEIGHT (Da)	216.2400
ACCURATE MASS (Da)	216.0899
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Bacillus
ORIGIN SPECIES	pumilus
InChIKey	QYDMJTFKQVPEHJ-UHFFFAOYSA-N
InChI	InChI=1S/C12H12N2O2/c1-8(15)13-7-12(16)10-6-14-11-5-3-2-4-9(10)11/h2-6,14H,7H2,1H3,(H,13,15)
SMILES	CC(=O)NCC(=O)C1=CNC2=CC=CC=C21

ORIGINAL ISOLATION REFERENCE

CITATION	Martínez-Luis, Sergio; Gómez, José Félix; Spadafora, Carmenza; Guzmán, Héctor M; Gutiérrez, Marcelino Antitrypanosomal alkaloids from the marine bacterium Bacillus pumilus Molecules 2012 17 (9) 11146-11155.
DOI	10.3390/molecules170911146	PMID	22990456

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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