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Compounds

COMPOUND NPA002515

STRUCTURE

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PROPERTIES

NPAID	NPA002515
CLUSTER ID	442
NODE ID	400
NAME	Bionectriol A
FORMULA	C40H70O14
MOLECULAR WEIGHT (Da)	774.9860
ACCURATE MASS (Da)	774.4766
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Bionectria
ORIGIN SPECIES	sp.
InChIKey	GCBOFAMJKLBCMW-RQZJARFHSA-N
InChI	InChI=1S/C40H70O14/c1-11-20(2)12-21(3)13-26(8)38(54-40-37(50)36(49)35(48)31(18-42)53-40)27(9)15-24(6)32(45)22(4)14-23(5)33(46)25(7)16-28(10)39(51)52-19-30(44)34(47)29(43)17-41/h13-16,20-22,25,27,29-38,40-50H,11-12,17-19H2,1-10H3/b23-14+,24-15+,26-13+,28-16+/t20?,21?,22?,25?,27?,29?,30?,31-,32?,33?,34?,35-,36+,37+,38?,40+/m1/s1
SMILES	CCC(C)CC(C)/C=C(\C)/C(C(C)/C=C(\C)/C(C(C)/C=C(\C)/C(C(C)/C=C(\C)/C(=O)OCC(C(C(CO)O)O)O)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Freinkman, Elizaveta; Oh, Dong-Chan; Scott, Jarrod J.; Currie, Cameron R.; Clardy, Jon Bionectriol A, a polyketide glycoside from the fungus Bionectria sp. associated with the fungus-growing ant, Apterostigma dentigerum Tetrahedron Letters 2009 50 (49) 6834-6837.
DOI	10.1016/j.tetlet.2009.09.120	PMID	20160864

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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