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Compounds

COMPOUND NPA017969

STRUCTURE

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PROPERTIES

NPAID	NPA017969
CLUSTER ID	2127
NODE ID	1698
NAME	Penitrem E
FORMULA	C37H45NO6
MOLECULAR WEIGHT (Da)	599.7680
ACCURATE MASS (Da)	599.3247
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	sp.
InChIKey	LTCFBVUSILPMGG-BRSLXYMHSA-N
InChI	InChI=1S/C37H45NO6/c1-16(2)28-27(39)31-37(44-31)23(42-28)11-12-33(6)34(7)19(10-13-35(33,37)40)29-25-24-21(38-30(25)34)9-8-18-14-17(3)20-15-22(32(4,5)43-29)36(20,41)26(18)24/h8-9,19-20,22-23,27-29,31,38-41H,1,3,10-15H2,2,4-7H3/t19-,20+,22+,23-,27-,28+,29-,31+,33+,34+,35-,36+,37-/m0/s1
SMILES	CC(=C)[C@@H]1[C@@H]([C@@H]2[C@@]3(O2)[C@@H](O1)CC[C@]4([C@]3(CC[C@@H]5[C@@]4(C6=C7[C@H]5OC([C@H]8C[C@H]9[C@@]8(C1=C(CC9=C)C=CC(=C71)N6)O)(C)C)C)O)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	de Jesus, Amelia E.; Steyn, Pieter S.; van Heerden, Fanie R.; Vleggaar, Robert; Wessels, Philippus L.; Hull, William E. Tremorgenic mycotoxins from Penicillium crustosum. Structure elucidation and absolute configuration of penitrems B–F. Journal of the Chemical Society, Perkin Transactions 1 1983 (0) 1857-1861.
DOI	10.1039/p19830001857	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Eurotiomycetes	MycoBank	147545
Order	Eurotiales	MycoBank	5042
Family	Aspergillaceae	MycoBank	1131492
Genus	Penicillium	MycoBank	5073

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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