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Compounds

COMPOUND NPA007141

STRUCTURE

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PROPERTIES

NPAID	NPA007141
CLUSTER ID	908
NODE ID	787
NAME	Nodulisporic acid C
FORMULA	C43H57NO5
MOLECULAR WEIGHT (Da)	667.9310
ACCURATE MASS (Da)	667.4237
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Nodulisporium
ORIGIN SPECIES	sp. MF5954
InChIKey	KYJMIMWHTSJVQB-GQQOVJSASA-N
InChI	InChI=1S/C43H57NO5/c1-23(2)13-15-26-33-27(30-22-39(4,5)49-40(6,7)34(30)36(33)46)21-28-29-20-25-14-16-31-41(8,18-11-12-24(3)38(47)48)32(45)17-19-42(31,9)43(25,10)37(29)44-35(26)28/h11-13,18,21-22,25,31-32,34,36,44-46H,14-17,19-20H2,1-10H3,(H,47,48)/b18-11+,24-12+/t25-,31-,32-,34+,36+,41-,42-,43+/m0/s1
SMILES	CC(=CCC1=C2C(=CC3=C1[C@H]([C@H]4C3=CC(OC4(C)C)(C)C)O)C5=C(N2)[C@]6([C@H](C5)CC[C@@H]7[C@@]6(CC[C@@H]([C@@]7(C)/C=C/C=C(\C)/C(=O)O)O)C)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Ondeyka, John G.; Byrne, Kevin; Vesey, Diane; Zink, Deborah L.; Shoop, Wesley L.; Goetz, Michael A.; Singh, Sheo B. Nodulisporic acids C, C1, and C2: A series of D-ring-opened nodulisporic acids from the fungus Nodulisporium sp Journal of Natural Products 2003 66 (1) 121-124.
DOI	10.1021/np020339u	PMID	12542359

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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