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Compounds

COMPOUND NPA014914

STRUCTURE

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PROPERTIES

NPAID	NPA014914
CLUSTER ID	193
NODE ID	181
NAME	5-chlorosclerotiamide
FORMULA	C26H28ClN3O5
MOLECULAR WEIGHT (Da)	497.9790
ACCURATE MASS (Da)	497.1717
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	westerdijkiae DFFSCS013
InChIKey	TVZRVAVYSDCSKC-ZUTUFOHQSA-N
InChI	InChI=1S/C26H28ClN3O5/c1-22(2)8-6-12-16-13(10-14(27)17(12)35-22)25(20(33)28-16)18(31)26-15(23(25,3)4)11-24(19(32)29-26)7-5-9-30(24)21(26)34/h6,8,10,15,18,31H,5,7,9,11H2,1-4H3,(H,28,33)(H,29,32)/t15-,18-,24-,25-,26+/m0/s1
SMILES	CC1(C=CC2=C3C(=CC(=C2O1)Cl)[C@]4([C@@H]([C@]56[C@H](C4(C)C)C[C@@]7(CCCN7C5=O)C(=O)N6)O)C(=O)N3)C

ORIGINAL ISOLATION REFERENCE

CITATION	Peng, Jiang; Zhang, Xiao-Yong; Tu, Zheng-Chao; Xu, Xin-Ya; Qi, Shu-Hua Alkaloids from the deep-sea-derived fungus Aspergillus westerdijkiae DFFSCS013 Journal of Natural Products 2013 76 (5) 983-987.
DOI	10.1021/np400132m	PMID	23701598

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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