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Compounds

COMPOUND NPA005339

STRUCTURE

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PROPERTIES

NPAID	NPA005339
CLUSTER ID	2635
NODE ID	2049
NAME	10-Hydroxy-18-N-2-naphtyl-N-phenylaminobetae- none
FORMULA	C37H45NO5
MOLECULAR WEIGHT (Da)	583.7690
ACCURATE MASS (Da)	583.3298
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Microsphaeropsis
ORIGIN SPECIES	sp.
InChIKey	PBODNUVAXAPXJH-YTOGWHTISA-N
InChI	InChI=1S/C37H45NO5/c1-7-24(2)31-35(5,32-25(3)22-34(4,41)23-37(32,43)33(40)36(31,6)42)30(39)19-20-38(28-15-9-8-10-16-28)29-18-17-26-13-11-12-14-27(26)21-29/h8-21,24-25,31-32,41-43H,7,22-23H2,1-6H3/b20-19+/t24?,25-,31-,32-,34-,35-,36+,37-/m1/s1
SMILES	CCC(C)[C@@H]1[C@@]([C@H]2[C@@H](C[C@@](C[C@@]2(C(=O)[C@@]1(C)O)O)(C)O)C)(C)C(=O)/C=C/N(C3=CC=CC=C3)C4=CC5=CC=CC=C5C=C4

ORIGINAL ISOLATION REFERENCE

CITATION	Brauers, Gernot; Edrada, Ru Angelie; Ebel, Rainer; Proksch, Peter; Wray, Victor; Berg, Albrecht; Gräfe, Udo; Schächtele, Christoph; Totzke, Frank; Finkenzeller, Günter; Marme, Dieter; Kraus, Jürgen; Münchbach, Miriam; Michel, Manuela; Bringmann, Gerhard; Schaumann, Karsten Anthraquinones and Betaenone Derivatives from the Sponge-Associated Fungus Microsphaeropsis Species: Novel Inhibitors of Protein Kinases Journal of Natural Products 2000 63 (6) 739-745.
DOI	10.1021/np9905259	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Dothideomycetes	MycoBank	147541
Order	Pleosporales	MycoBank	92860
Family	Montagnulaceae	MycoBank	-
Genus	Microsphaeropsis	MycoBank	107453

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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