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Compounds

COMPOUND NPA012342

STRUCTURE

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PROPERTIES

NPAID	NPA012342
CLUSTER ID	17
NODE ID	17
NAME	31-Epilolitrem N
FORMULA	C37H49NO7
MOLECULAR WEIGHT (Da)	619.7990
ACCURATE MASS (Da)	619.3509
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Neotyphodium
ORIGIN SPECIES	perenne
InChIKey	GIHSQRKLXKCZNX-JHBBVYBMSA-N
InChI	InChI=1S/C37H49NO7/c1-31(2,41)29-27(40)30-37(44-30)23(43-29)12-13-34(7)35(8)17(11-14-36(34,37)42)15-20-24-19-16-21-25(33(5,6)45-32(21,3)4)26(39)18(19)9-10-22(24)38-28(20)35/h9-10,17,21,23,25,27,29-30,38,40-42H,11-16H2,1-8H3/t17-,21-,23-,25+,27+,29-,30?,34+,35+,36-,37-/m0/s1
SMILES	C[C@]12CC[C@H]3[C@@]4([C@@]1(CC[C@@H]5[C@@]2(C6=C(C5)C7=C(N6)C=CC8=C7C[C@H]9[C@H](C8=O)C(OC9(C)C)(C)C)C)O)C(O4)[C@@H]([C@H](O3)C(C)(C)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Munday-Finch, Sarah C; Wilkins, Alistair L; Miles, Christopher O Isolation of lolicine A, lolicine B, lolitriol, and lolitrem N from Lolium perenne infected with Neotyphodium lolii and evidence for the natural occurrence of 31-epilolitrem N and 31-epilolitrem F Journal of Agricultural and Food Chemistry 1998 46 (2) 590-598.
DOI	10.1021/jf9706787	PMID	10554283

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	Clavicipitaceae	MycoBank	34397
Genus	Neotyphodium	MycoBank	45284

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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