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Compounds

COMPOUND NPA017830

STRUCTURE

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PROPERTIES

NPAID	NPA017830
CLUSTER ID	2309
NODE ID	1826
NAME	Emindole SC
FORMULA	C30H41NO3
MOLECULAR WEIGHT (Da)	463.6620
ACCURATE MASS (Da)	463.3086
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	sclerotiicarbonarius (IBT 28362)
InChIKey	HITQLOOAHMTOMZ-POENEODOSA-N
InChI	InChI=1S/C30H41NO3/c1-18(2)10-9-14-28(4)25(34-19(3)32)13-15-29(5)26(28)24(33)17-20-16-22-21-11-7-8-12-23(21)31-27(22)30(20,29)6/h7-8,10-12,20,24-26,31,33H,9,13-17H2,1-6H3/t20-,24-,25+,26+,28-,29+,30-/m1/s1
SMILES	CC(=CCC[C@@]1([C@H](CC[C@]2([C@H]1[C@@H](C[C@@H]3[C@@]2(C4=C(C3)C5=CC=CC=C5N4)C)O)C)OC(=O)C)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Petersen, Lene M.; Frisvad, Jens C.; Knudsen, Peter B.; Rohlfs, Marko; Gotfredsen, Charlotte H.; Larsen, Thomas O. Induced sclerotium formation exposes new bioactive metabolites from Aspergillus sclerotiicarbonarius Journal of Antibiotics 2015 68 (10) 603-608.
DOI	10.1038/ja.2015.40	PMID	25944531

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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