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Compounds

COMPOUND NPA017923

STRUCTURE

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PROPERTIES

NPAID	NPA017923
CLUSTER ID	908
NODE ID	787
NAME	Nodulisporic acid A4
FORMULA	C43H55NO6
MOLECULAR WEIGHT (Da)	681.9140
ACCURATE MASS (Da)	681.4029
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Nodulisporium
ORIGIN SPECIES	sp.
InChIKey	RQRLQCQHVHFUJZ-QGLQQYJRSA-N
InChI	InChI=1S/C43H55NO6/c1-21(2)33-36(47)31-30-24(27-20-39(4,5)50-40(6,7)32(27)35(30)46)19-25-26-18-23-13-14-28-41(8,16-11-12-22(3)38(48)49)29(45)15-17-42(28,9)43(23,10)37(26)44(33)34(25)31/h12,19-20,23,28-29,32-33,35,45-46H,1,11,13-18H2,2-10H3,(H,48,49)/b22-12+/t23-,28-,29-,32+,33-,35+,41-,42-,43+/m0/s1
SMILES	CC(=C)[C@H]1C(=O)C2=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)CC/C=C(\C)/C(=O)O)O)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Singh, Sheo B; Ondeyka, John G; Jayasuriya, Hiranthi; Zink, Deborah L; Ha, Sookhee N; Dahl-Roshak, Arlene; Greene, Joyce; Kim, Jennifer A; Smith, McHardy M; Shoop, Wesley; Tkacz, Jan S Nodulisporic acids D-F: structure, biological activities, and biogenetic relationships Journal of Natural Products 2004 67 (9) 1496-1506.
DOI	10.1021/np0498455	PMID	15387649

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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