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Compounds

COMPOUND NPA007931

STRUCTURE

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PROPERTIES

NPAID	NPA007931
CLUSTER ID	908
NODE ID	787
NAME	Nodulisporic acid B
FORMULA	C43H55NO5
MOLECULAR WEIGHT (Da)	665.9150
ACCURATE MASS (Da)	665.4080
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Nodulisporium
ORIGIN SPECIES	sp.
InChIKey	WCAKZBQMVHYHED-XWOVQGDBSA-N
InChI	InChI=1S/C43H55NO5/c1-22(2)30-20-28-33-25(29-21-39(4,5)49-40(6,7)34(29)36(33)46)19-26-27-18-24-13-14-31-41(8,16-11-12-23(3)38(47)48)32(45)15-17-42(31,9)43(24,10)37(27)44(30)35(26)28/h11-12,16,19,21,24,30-32,34,36,45-46H,1,13-15,17-18,20H2,2-10H3,(H,47,48)/b16-11+,23-12+/t24-,30+,31-,32-,34+,36+,41-,42-,43+/m0/s1
SMILES	CC(=C)[C@H]1CC2=C3N1C4=C(C3=CC5=C2[C@H]([C@H]6C5=CC(OC6(C)C)(C)C)O)C[C@H]7[C@]4([C@]8(CC[C@@H]([C@@]([C@@H]8CC7)(C)/C=C/C=C(\C)/C(=O)O)O)C)C

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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