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Compounds

COMPOUND NPA004052

STRUCTURE

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PROPERTIES

NPAID	NPA004052
CLUSTER ID	2155
NODE ID	1718
NAME	Open-Chain Fusarin C
FORMULA	C23H29NO7
MOLECULAR WEIGHT (Da)	431.4850
ACCURATE MASS (Da)	431.1944
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Fusarium
ORIGIN SPECIES	mycotoxin
InChIKey	NPNHTIINNIMBKL-DFBPGSKZSA-N
InChI	InChI=1S/C23H29NO7/c1-6-17(21(28)30-5)13-15(3)12-14(2)8-7-9-16(4)19(27)23(22(24)29)20(31-23)18(26)10-11-25/h6-9,12-13,20,25H,10-11H2,1-5H3,(H2,24,29)/b8-7+,14-12+,15-13+,16-9+,17-6+/t20-,23-/m0/s1
SMILES	C/C=C(\C=C(/C)\C=C(/C)\C=C\C=C(/C)\C(=O)[C@]1([C@@H](O1)C(=O)CCO)C(=O)N)/C(=O)OC

ORIGINAL ISOLATION REFERENCE

CITATION	Kleigrewe, Karin; Aydin, Filiz; Hogrefe, Kirstin; Piecuch, Patrick; Bergander, Klaus; Würthwein, Ernst-Ulrich; Humpf, Hans-Ulrich Structure elucidation of new fusarins revealing insights in the rearrangement mechanisms of the Fusarium mycotoxin fusarin C Journal of Agricultural and Food Chemistry 2012 60 (21) 5497-5505.
DOI	10.1021/jf3009469	PMID	22540270

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	Nectriaceae	MycoBank	110618
Genus	Fusarium	MycoBank	5506

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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