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Compounds

COMPOUND NPA012456

STRUCTURE

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PROPERTIES

NPAID	NPA012456
CLUSTER ID	279
NODE ID	253
NAME	Bionectin A
FORMULA	C22H18N4O3S2
MOLECULAR WEIGHT (Da)	450.5450
ACCURATE MASS (Da)	450.0820
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Bionectria
ORIGIN SPECIES	byssicola F120
InChIKey	SOXYUWXVVDZFTE-XUJOWKJQSA-N
InChI	InChI=1S/C22H18N4O3S2/c1-25-17-16(27)26-19-21(12-7-3-5-9-15(12)24-19,18(28)22(26,20(25)29)31-30-17)13-10-23-14-8-4-2-6-11(13)14/h2-10,17-19,23-24,28H,1H3/t17-,18-,19+,21+,22-/m0/s1
SMILES	CN1[C@@H]2C(=O)N3[C@@H]4[C@]([C@@H]([C@@]3(C1=O)SS2)O)(C5=CC=CC=C5N4)C6=CNC7=CC=CC=C76

ORIGINAL ISOLATION REFERENCE

CITATION	Zheng, Chang-Ji; Kim, Chang-Jin; Bae, Kyung Sook; Kim, Young-Ho; Kim, Won-Gon Bionectins A-C, epidithiodioxopiperazines with anti-MRSA activity, from Bionectra byssicola F120 Journal of Natural Products 2006 69 (12) 1816-1819.
DOI	10.1021/np060348t	PMID	17190469

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Hypocreales	MycoBank	5125
Family	Bionectriaceae	MycoBank	103887
Genus	Bionectria	MycoBank	-

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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