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Compounds

COMPOUND NPA012045

STRUCTURE

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PROPERTIES

NPAID	NPA012045
CLUSTER ID	2285
NODE ID	1810
NAME	Emericellene A
FORMULA	C25H38O2
MOLECULAR WEIGHT (Da)	370.5770
ACCURATE MASS (Da)	370.2872
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Emericella
ORIGIN SPECIES	sp. AST0036
InChIKey	CFTIGVMTUOJNLU-MPEFEAGKSA-N
InChI	InChI=1S/C25H38O2/c1-19(2)7-6-15-24(17-26)22-12-10-20(3)8-5-9-21(4)11-13-23(24)25(16-14-22)18-27-25/h7,9-10,17,22-23H,5-6,8,11-16,18H2,1-4H3/b20-10+,21-9+/t22-,23+,24-,25+/m0/s1
SMILES	C/C/1=C\CC/C(=C/C[C@H]2CC[C@@]3(CO3)[C@@H]([C@@]2(CCC=C(C)C)C=O)CC1)/C

ORIGINAL ISOLATION REFERENCE

CITATION	Xu, Ya-ming; Espinosa-Artiles, Patricia; Liu, Mangping X.; Arnold, A. Elizabeth; Gunatilaka, A. A. Leslie Secoemestrin D, a Cytotoxic Epitetrathiodioxopiperizine, and Emericellenes A-E, Five Sesterterpenoids from Emericella sp. AST0036, a Fungal Endophyte of Astragalus lentiginosus1 Journal of Natural Products 2013 76 (12) 2330-2336.
DOI	10.1021/np400762k	PMID	24251417

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	Trichocomaceae	MycoBank	28568
Genus	Emericella	MycoBank	5071

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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