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Compounds

COMPOUND NPA017841

STRUCTURE

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PROPERTIES

NPAID	NPA017841
CLUSTER ID	231
NODE ID	215
NAME	Mangicol B
FORMULA	C25H42O5
MOLECULAR WEIGHT (Da)	422.6060
ACCURATE MASS (Da)	422.3032
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Fusarium
ORIGIN SPECIES	heterosporum
InChIKey	YXAVEBXVQDZXAI-BRGZQTFFSA-N
InChI	InChI=1S/C25H42O5/c1-14-6-7-25-15(2)18(27)10-16(25)20-22(3,11-17(14)25)8-9-23(20,4)12-19(28)21(29)24(5,30)13-26/h11,14-16,18-21,26-30H,6-10,12-13H2,1-5H3/t14-,15-,16-,18+,19-,20-,21-,22+,23+,24-,25-/m0/s1
SMILES	C[C@H]1CC[C@@]23C1=C[C@]4(CC[C@]([C@H]4[C@@H]2C[C@H]([C@@H]3C)O)(C)C[C@@H]([C@@H]([C@](C)(CO)O)O)O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Renner, Matthew K.; Jensen, Paul R.; Fenical, William Mangicols: Structures and biosynthesis of a new class of sesterterpene polyols from a marine fungus of the genus Fusarium Journal of Organic Chemistry 2000 65 (16) 4843-4852.
DOI	10.1021/jo000081h	PMID	10956462

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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