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Compounds

COMPOUND NPA000481

STRUCTURE

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PROPERTIES

NPAID	NPA000481
CLUSTER ID	374
NODE ID	338
NAME	1,2-dehydrovirgineone
FORMULA	C40H61NO12
MOLECULAR WEIGHT (Da)	747.9230
ACCURATE MASS (Da)	747.4194
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Bionectria
ORIGIN SPECIES	sp. (MSX 47401)
InChIKey	KOMHLFKWLYKZGV-GVNXYXTPSA-N
InChI	InChI=1S/C40H61NO12/c1-26(34(46)33-35(47)31(41-39(33)51)23-27-19-21-29(44)22-20-27)15-11-7-5-6-9-13-17-28(43)16-12-8-3-2-4-10-14-18-30(45)25-52-40-38(50)37(49)36(48)32(24-42)53-40/h19-22,26,30,32,36-38,40,42,44-45,47-50H,2-18,23-25H2,1H3/t26?,30-,32-,36-,37+,38-,40-/m1/s1
SMILES	CC(CCCCCCCCC(=O)CCCCCCCCC[C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C(=O)C2=C(C(=NC2=O)CC3=CC=C(C=C3)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Figueroa, Mario; Raja, Huzefa; Falkinham, Joseph O.; Adcock, Audrey F.; Kroll, David J.; Wani, Mansukh C.; Pearce, Cedric J.; Oberlies, Nicholas H. Peptaibols, tetramic acid derivatives, isocoumarins, and sesquiterpenes from a bionectria sp. (MSX 47401) Journal of Natural Products 2013 76 (6) 1007-1015.
DOI	10.1021/np3008842	PMID	23806109

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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