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Compounds

COMPOUND NPA025256

STRUCTURE

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PROPERTIES

NPAID	NPA025256
CLUSTER ID	17
NODE ID	17
NAME	Shearinine N
FORMULA	C38H49NO6
MOLECULAR WEIGHT (Da)	615.8110
ACCURATE MASS (Da)	615.3560
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	sp. ZO-R1-1
InChIKey	OONPMWYINBHIDB-FFEKPOHASA-N
InChI	InChI=1S/C38H49NO6/c1-32(2)19-25-22-17-27-23(14-20(22)15-26(25)34(5,6)45-32)24-16-21-10-11-37(42)29-18-28(40)31(33(3,4)41)44-38(29,43-9)13-12-35(37,7)36(21,8)30(24)39-27/h14,17-18,21,31,39,41-42H,10-13,15-16,19H2,1-9H3/t21-,31-,35+,36+,37+,38-/m0/s1
SMILES	C[C@]12CC[C@]3(C(=CC(=O)[C@H](O3)C(C)(C)O)[C@@]1(CC[C@@H]4[C@@]2(C5=C(C4)C6=CC7=C(C=C6N5)C8=C(C7)C(OC(C8)(C)C)(C)C)C)O)OC

ORIGINAL ISOLATION REFERENCE

CITATION	Ariantari NP; Ancheeva E; Wang C; Mándi A; Knedel TO; Kurtán T; Chaidir C; Müller WEG; Kassack MU; Janiak C; Daletos G; Proksch P Indole Diterpenoids from an Endophytic Penicillium sp. Journal of Natural Products 2019 82 (6) 1412-1423.
DOI	10.1021/acs.jnatprod.8b00723	PMID	31117519

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	Penicillium	MycoBank	5073

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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