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Compounds

COMPOUND NPA007711

STRUCTURE

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PROPERTIES

NPAID	NPA007711
CLUSTER ID	17
NODE ID	17
NAME	Lolicine B
FORMULA	C38H51NO6
MOLECULAR WEIGHT (Da)	617.8270
ACCURATE MASS (Da)	617.3716
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Neotyphodium
ORIGIN SPECIES	perenne
InChIKey	PEJCOIYIVMELDV-GARPVJMRSA-N
InChI	InChI=1S/C38H51NO6/c1-33(2,43)28-17-26(41)38(18-40)25-12-9-19-15-22-29-21-16-23-30(35(5,6)45-34(23,3)4)31(42)20(21)10-11-24(29)39-32(22)37(19,8)36(25,7)14-13-27(38)44-28/h10-11,18-19,23,25-28,30,39,41,43H,9,12-17H2,1-8H3/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=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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