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Compounds

COMPOUND NPA004417

STRUCTURE

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PROPERTIES

NPAID	NPA004417
CLUSTER ID	193
NODE ID	181
NAME	29-N-demethylparaherquamide K
FORMULA	C27H31N3O4
MOLECULAR WEIGHT (Da)	461.5620
ACCURATE MASS (Da)	461.2315
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	duricaulis
InChIKey	QGPWJMZTCLHZLO-JGGMKHMHSA-N
InChI	InChI=1S/C27H31N3O4/c1-14-10-26-11-18-24(4,5)27(12-25(18,29-21(26)32)13-30(26)20(14)31)16-6-7-17-15(19(16)28-22(27)33)8-9-23(2,3)34-17/h6-9,14,18H,10-13H2,1-5H3,(H,28,33)(H,29,32)/t14-,18+,25-,26+,27-/m1/s1
SMILES	C[C@@H]1C[C@@]23C[C@@H]4[C@@](C[C@@]5(C4(C)C)C6=C(C7=C(C=C6)OC(C=C7)(C)C)NC5=O)(CN2C1=O)NC3=O

ORIGINAL ISOLATION REFERENCE

CITATION	Kwon, Jaeyoung; Seo, Young Hye; Lee, Jae-Eun; Seo, Eun-Kyoung; Li, Shen; Guo, Yuanqiang; Hong, Seung-Beom; Park, So-Young; Lee, Dongho Spiroindole Alkaloids and Spiroditerpenoids from Aspergillus duricaulis and Their Potential Neuroprotective Effects Journal of Natural Products 2015 78 (11) 2572-2579.
DOI	10.1021/acs.jnatprod.5b00508	PMID	26517152

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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