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Compounds

COMPOUND NPA017377

STRUCTURE

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PROPERTIES

NPAID	NPA017377
CLUSTER ID	5847
NODE ID	4113
NAME	Pentahydroxyscirpene
FORMULA	C15H22O7
MOLECULAR WEIGHT (Da)	314.3340
ACCURATE MASS (Da)	314.1366
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Fusarium
ORIGIN SPECIES	sp.
InChIKey	FSRZWENLVSLJGX-WRJVUQEZSA-N
InChI	InChI=1S/C15H22O7/c1-6-3-7-14(4-16,11(20)8(6)17)13(2)10(19)9(18)12(22-7)15(13)5-21-15/h3,7-12,16-20H,4-5H2,1-2H3/t7-,8-,9-,10-,11-,12-,13-,14-,15+/m1/s1
SMILES	CC1=C[C@@H]2[C@]([C@@H]([C@@H]1O)O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)CO

ORIGINAL ISOLATION REFERENCE

CITATION	Fruhmann, Philipp; Mikula, Hannes; Wiesenberger, Gerlinde; Varga, Elisabeth; Lumpi, Daniel; Stoeger, Berthold; Haeubl, Georg; Lemmens, Marc; Berthiller, Franz; Krska, Rudolf; Adam, Gerhard; Hametner, Christian; Froehlich, Johannes Isolation and structure elucidation of pentahydroxyscirpene, a trichothecene Fusarium mycotoxin Journal of Natural Products 2014 77 (1) 188-192.
DOI	10.1021/np4008365	PMID	24367932

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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