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Compounds

COMPOUND NPA009209

STRUCTURE

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PROPERTIES

NPAID	NPA009209
CLUSTER ID	3844
NODE ID	163
NAME	Penicillitone
FORMULA	C28H40O5
MOLECULAR WEIGHT (Da)	456.6230
ACCURATE MASS (Da)	456.2876
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	purpurogenum
InChIKey	NQJNHLHHPPGXNC-BBWXRXDESA-N
InChI	InChI=1S/C28H40O5/c1-14(2)15(3)7-8-16(4)19-11-20(30)18-13-26(19,5)24(32)21-22(18)27(6)10-9-17(29)12-28(27)25(33-28)23(21)31/h7-8,14-20,25,29-30H,9-13H2,1-6H3/b8-7+/t15-,16+,17-,18-,19+,20-,25-,26+,27+,28-/m0/s1
SMILES	C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1C[C@@H]([C@@H]2C[C@]1(C(=O)C3=C2[C@]4(CC[C@@H](C[C@]45[C@H](C3=O)O5)O)C)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Xue, Jinghua; Wu, Ping; Xu, Liangxiong; Wei, Xiaoyi Penicillitone, a potent in vitro anti-inflammatory and cytotoxic rearranged sterol with an unusual tetracycle core produced by Penicillium purpurogenum Organic Letters 2014 16 (5) 1518-1521.
DOI	10.1021/ol500418f	PMID	24576256

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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