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Compounds

COMPOUND NPA016492

STRUCTURE

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PROPERTIES

NPAID	NPA016492
CLUSTER ID	17
NODE ID	17
NAME	Lolitriol
FORMULA	C37H49NO7
MOLECULAR WEIGHT (Da)	619.7990
ACCURATE MASS (Da)	619.3509
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Neotyphodium
ORIGIN SPECIES	perenne
InChIKey	GIHSQRKLXKCZNX-JDTQUMMESA-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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