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Compounds

COMPOUND NPA026711

STRUCTURE

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PROPERTIES

NPAID	NPA026711
CLUSTER ID	4555
NODE ID	3331
NAME	Neosetophomone B
FORMULA	C24H32O4
MOLECULAR WEIGHT (Da)	384.5160
ACCURATE MASS (Da)	384.2301
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Neosetophoma
ORIGIN SPECIES	sp. MSX50044
InChIKey	REJAHZFROGUZPE-FYBPARGDSA-N
InChI	InChI=1S/C24H32O4/c1-15-7-10-23(3,4)8-6-9-24(5)17(13-19(15)25)12-18-16(2)11-20(26)21(27)14-22(18)28-24/h6-8,11,14,17,19,25H,9-10,12-13H2,1-5H3,(H,26,27)/b8-6+,15-7+/t17-,19-,24-/m0/s1
SMILES	C/C1=C\CC(C)(C)/C=C/C[C@]2(C)OC3=CC(=O)C(O)=CC(C)=C3C[C@H]2C[C@@H]1O

ORIGINAL ISOLATION REFERENCE

CITATION	El-Elimat, Tamam; Raja, Huzefa A.; Ayers, Sloan; Kurina, Steven J.; Burdette, Joanna E.; Mattes, Zachary; Sabatelle, Robert; Bacon, Jeffrey W.; Colby, Aaron H.; Grinstaff, Mark W.; Pearce, Cedric J.; Oberlies, Nicholas H. Meroterpenoids from Neosetophoma sp.: A Dioxa[4.3.3]propellane Ring System, Potent Cytotoxicity, and Prolific Expression Organic Letters 2019 21 (2) 529-534.
DOI	10.1021/acs.orglett.8b03769	PMID	30620608

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	Phaeosphaeriaceae	MycoBank	5020
Genus	Neosetophoma	MycoBank	798068

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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