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Compounds

COMPOUND NPA014134

STRUCTURE

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PROPERTIES

NPAID	NPA014134
CLUSTER ID	180
NODE ID	168
NAME	Not named
FORMULA	C22H25N3O6
MOLECULAR WEIGHT (Da)	427.4570
ACCURATE MASS (Da)	427.1743
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	fumigatus
InChIKey	XPLQKNTVQRYSHU-CTSLQZMRSA-N
InChI	InChI=1S/C22H25N3O6/c1-11(2)9-16-21(17(26)13-7-6-12(31-3)10-14(13)23-21)19(28)22(30)20(29)24-8-4-5-15(24)18(27)25(16)22/h6-7,9-10,15-16,19,23,28,30H,4-5,8H2,1-3H3/t15-,16-,19-,21+,22+/m0/s1
SMILES	CC(=C[C@H]1[C@]2([C@@H]([C@@]3(N1C(=O)[C@@H]4CCCN4C3=O)O)O)C(=O)C5=C(N2)C=C(C=C5)OC)C

ORIGINAL ISOLATION REFERENCE

CITATION	Wang, Fazuo; Fang, Yuchun; Zhu, Tianjiao; Zhang, Min; Lin, Aiqun; Gu, Qianqun; Zhu, Weiming Seven new prenylated indole diketopiperazine alkaloids from holothurian-derived fungus Aspergillus fumigatus Tetrahedron 2008 64 (34) 7986-7991.
DOI	10.1016/j.tet.2008.06.013	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	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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