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Compounds

COMPOUND NPA002556

STRUCTURE

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PROPERTIES

NPAID	NPA002556
CLUSTER ID	908
NODE ID	787
NAME	Nodulisporic acid B2
FORMULA	C43H57NO7
MOLECULAR WEIGHT (Da)	699.9290
ACCURATE MASS (Da)	699.4135
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Nodulisporium
ORIGIN SPECIES	sp.
InChIKey	NAYPRGXEKUQOLV-OIBXDPOISA-N
InChI	InChI=1S/C43H57NO7/c1-20(2)28-17-26-31-23(27-18-38(4,5)51-39(6,7)32(27)35(31)46)16-24-25-15-22-11-12-30-40(8,42(22,10)36(25)44(28)33(24)26)13-14-43(49)41(30,9)19-29(50-43)34(45)21(3)37(47)48/h16,18,21-22,28-30,32,34-35,45-46,49H,1,11-15,17,19H2,2-10H3,(H,47,48)/t21?,22-,28+,29-,30+,32+,34?,35+,40-,41-,42+,43-/m0/s1
SMILES	CC(C([C@@H]1C[C@]2([C@@H]3CC[C@H]4CC5=C([C@@]4([C@]3(CC[C@@]2(O1)O)C)C)N6[C@H](CC7=C6C5=CC8=C7[C@H]([C@H]9C8=CC(OC9(C)C)(C)C)O)C(=C)C)C)O)C(=O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Ondeyka, John G; Dahl-Roshak, Arlene M; Tkacz, Jan S; Zink, Deborah L; Zakson-Aiken, Michelle; Shoop, Wesley L; Goetz, Michael A; Singh, Sheo B Nodulisporic acid B, B1, and B2: a series of 1'-deoxy-nodulisporic acids from Nodulisporium sp Bioorganic and Medicinal Chemistry Letters 2002 12 (20) 2941-2944.
DOI	10.1016/s0960-894x(02)00621-2	PMID	12270179

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Xylariales	MycoBank	37989
Family	Xylariaceae	MycoBank	37990
Genus	Nodulisporium	MycoBank	96453

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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