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Compounds

COMPOUND NPA027317

STRUCTURE

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PROPERTIES

NPAID	NPA027317
CLUSTER ID	8251
NODE ID	5604
NAME	Mirabilene B isonitrile
FORMULA	C24H39NO4
MOLECULAR WEIGHT (Da)	405.5790
ACCURATE MASS (Da)	405.2879
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Scytonema
ORIGIN SPECIES	mirabilis BY-8-1
InChIKey	DXDWWQYVFWGLPI-MRHINEGBSA-N
InChI	InChI=1S/C24H39NO4/c1-10-11-21(26-6)15-22(27-7)16-23(28-8)17-24(29-9)19(3)14-18(2)12-13-20(4)25-5/h10,12-14,21-24H,1,11,15-17H2,2-4,6-9H3/b18-12+,19-14+,20-13+/t21-,22-,23-,24-/m0/s1
SMILES	[C-]#[N+]/C(C)=C/C=C(C)/C=C(\C)[C@H](C[C@H](C[C@H](C[C@H](CC=C)OC)OC)OC)OC

ORIGINAL ISOLATION REFERENCE

CITATION	Carmeli S; Moore R; Patterson G; Mori Y; Suzuki M Isonitriles from the blue-green alga Scytonema mirabile Journal of Organic Chemistry 1990 55 (14) 4431-4438.
DOI	10.1021/jo00301a041	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Nostocales	LPSN	1161
Family	Scytonemataceae	LPSN	1182
Genus	Scytonema	LPSN	1203

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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