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Compounds

COMPOUND NPA004272

STRUCTURE

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PROPERTIES

NPAID	NPA004272
CLUSTER ID	414
NODE ID	373
NAME	Prenylcyclotryprostatin B
FORMULA	C28H35N3O5
MOLECULAR WEIGHT (Da)	493.6040
ACCURATE MASS (Da)	493.2577
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	fumigatus YK-7
InChIKey	ZWMOSRAJNUGNFO-RZVQSFSYSA-N
InChI	InChI=1S/C28H35N3O5/c1-16(2)11-13-29-21-15-18(35-5)9-10-19(21)23-24(29)22(14-17(3)4)31-26(32)20-8-7-12-30(20)27(33)28(31,34)25(23)36-6/h9-11,14-15,20,22,25,34H,7-8,12-13H2,1-6H3/t20-,22-,25-,28-/m0/s1
SMILES	CC(=CCN1C2=C(C=CC(=C2)OC)C3=C1[C@@H](N4C(=O)[C@@H]5CCCN5C(=O)[C@]4([C@H]3OC)O)C=C(C)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Wang, Yu; Li, Zhan-Lin; Bai, Jiao; Zhang, Li-Min; Wu, Xin; Zhang, Lin; Pei, Yue-Hu; Jing, Yong-Kui; Hua, Hui-Ming 2,5-Diketopiperazines from the Marine-Derived Fungus Aspergillus fumigatus YK-7 Chemistry and Biodiversity 2012 9 (2) 385-393.
DOI	10.1002/cbdv.201100061	PMID	22344914

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	Aspergillus	MycoBank	5052

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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