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Compounds

COMPOUND NPA025257

STRUCTURE

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PROPERTIES

NPAID	NPA025257
CLUSTER ID	17
NODE ID	17
NAME	Shearinine O
FORMULA	C37H45NO5
MOLECULAR WEIGHT (Da)	583.7690
ACCURATE MASS (Da)	583.3298
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	sp. ZO-R1-1
InChIKey	RQPYXDSIXUKREP-LQDUPRBQSA-N
InChI	InChI=1S/C37H45NO5/c1-32(2)18-24-21-16-27-22(13-19(21)14-25(24)34(5,6)43-32)23-15-20-9-12-37(41)26-17-28(39)31(33(3,4)40)42-29(26)10-11-35(37,7)36(20,8)30(23)38-27/h10,13,16-17,20,31,38,40-41H,9,11-12,14-15,18H2,1-8H3/t20-,31-,35+,36+,37+/m0/s1
SMILES	C[C@]12CC=C3C(=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

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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