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Compounds

COMPOUND NPA001761

STRUCTURE

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PROPERTIES

NPAID	NPA001761
CLUSTER ID	1118
NODE ID	814
NAME	Versicamide B
FORMULA	C27H31N3O4
MOLECULAR WEIGHT (Da)	461.5620
ACCURATE MASS (Da)	461.2315
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	versicolor HDN08-60
InChIKey	PPVBHFZUHWABJT-LROBGIAVSA-N
InChI	InChI=1S/C27H31N3O4/c1-26(2)10-12-30-18(25(32)29-11-6-7-17(29)24(30)31)13-16-15-8-9-19-21(22(15)28-23(16)26)20(33-5)14-27(3,4)34-19/h7-10,12,18,20,28H,6,11,13-14H2,1-5H3/t18-,20?/m0/s1
SMILES	CC1(CC(C2=C(O1)C=CC3=C2NC4=C3C[C@H]5C(=O)N6CCC=C6C(=O)N5C=CC4(C)C)OC)C

ORIGINAL ISOLATION REFERENCE

CITATION	Peng, Jixing; Gao, Huquan; Li, Jing; Ai, Jing; Geng, Meiyu; Zhang, Guojian; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai Prenylated indole diketopiperazines from the marine-derived fungus Aspergillus versicolor Journal of Organic Chemistry 2014 79 (17) 7895-7904.
DOI	10.1021/jo5010179	PMID	25089636

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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