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Compounds

COMPOUND NPA028958

STRUCTURE

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PROPERTIES

NPAID	NPA028958
CLUSTER ID	1021
NODE ID	880
NAME	Aerucyclamide DSO2
FORMULA	C26H30N6O6S3
MOLECULAR WEIGHT (Da)	618.7630
ACCURATE MASS (Da)	618.1389
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Unknown
ORIGIN SPECIES	sp.
InChIKey	ORVAOHBOGFNWLU-UHFFFAOYSA-N
InChI	InChI=1S/C26H30N6O6S3/c1-14-21-24(35)27-11-20-28-18(12-39-20)22(33)29-16(8-9-41(2,36)37)26-31-19(13-40-26)23(34)30-17(25(32-21)38-14)10-15-6-4-3-5-7-15/h3-7,12,14,16-17,19,21H,8-11,13H2,1-2H3,(H,27,35)(H,29,33)(H,30,34)
SMILES	CC1OC2=NC1C(=O)NCC1=NC(=CS1)C(=O)NC(CCS(C)(=O)=O)C1=NC(CS1)C(=O)NC2CC1=CC=CC=C1

ORIGINAL ISOLATION REFERENCE

CITATION	Natumi R; Janssen EM Cyanopeptide Co-Production Dynamics beyond Mirocystins and Effects of Growth Stages and Nutrient Availability. Environmental Science & Technology 2020 54 (10) 6063-6072.
DOI	10.1021/acs.est.9b07334	PMID	32302105

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117

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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