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Compounds

COMPOUND NPA000018

STRUCTURE

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PROPERTIES

NPAID	NPA000018
CLUSTER ID	17
NODE ID	17
NAME	Lolicine A
FORMULA	C38H53NO5
MOLECULAR WEIGHT (Da)	603.8440
ACCURATE MASS (Da)	603.3924
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Neotyphodium
ORIGIN SPECIES	perenne
InChIKey	LUBQWHCYCGWUJS-GARPVJMRSA-N
InChI	InChI=1S/C38H53NO5/c1-33(2,42)28-18-26(40)37(8)25-13-10-19-16-22-29-21-17-23-30(35(5,6)44-34(23,3)4)31(41)20(21)11-12-24(29)39-32(22)38(19,9)36(25,7)15-14-27(37)43-28/h11-12,19,23,25-28,30,39-40,42H,10,13-18H2,1-9H3/t19-,23+,25+,26+,27-,28-,30-,36-,37+,38+/m0/s1
SMILES	C[C@]12CC[C@H]3[C@]([C@@H]1CC[C@@H]4[C@@]2(C5=C(C4)C6=C(N5)C=CC7=C6C[C@@H]8[C@@H](C7=O)C(OC8(C)C)(C)C)C)([C@@H](C[C@H](O3)C(C)(C)O)O)C

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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