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Compounds

COMPOUND NPA002097

STRUCTURE

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PROPERTIES

NPAID	NPA002097
CLUSTER ID	17
NODE ID	17
NAME	Lolitrem N 10-O-propionate
FORMULA	C40H53NO8
MOLECULAR WEIGHT (Da)	675.8630
ACCURATE MASS (Da)	675.3771
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Neotyphodium
ORIGIN SPECIES	perenne
InChIKey	QADALVAFWHVSQX-JLIAHFTKSA-N
InChI	InChI=1S/C40H53NO8/c1-10-26(42)47-30-32(34(2,3)44)46-25-14-15-37(8)38(9)19(13-16-39(37,45)40(25)33(30)48-40)17-22-27-21-18-23-28(36(6,7)49-35(23,4)5)29(43)20(21)11-12-24(27)41-31(22)38/h11-12,19,23,25,28,30,32-33,41,44-45H,10,13-18H2,1-9H3/t19-,23-,25-,28-,30+,32-,33?,37+,38+,39-,40-/m0/s1
SMILES	CCC(=O)O[C@@H]1[C@H](O[C@H]2CC[C@@]3([C@@]4([C@@H](CC[C@]3([C@@]25C1O5)O)CC6=C4NC7=C6C8=C(C=C7)C(=O)[C@@H]9[C@H](C8)C(OC9(C)C)(C)C)C)C)C(C)(C)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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