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Compounds

COMPOUND NPA032343

STRUCTURE

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PROPERTIES

NPAID	NPA032343
CLUSTER ID	67
NODE ID	63
NAME	Penicillixanthone A
FORMULA	C32H30O14
MOLECULAR WEIGHT (Da)	638.5780
ACCURATE MASS (Da)	638.1636
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Setophoma
ORIGIN SPECIES	terrestris (MSX45109)
InChIKey	BJONMPUUAMZPSQ-ZKHWAINJSA-N
InChI	InChI=1S/C32H30O14/c1-11-9-17(35)22-25(38)20-18(45-31(22,27(11)39)29(41)43-3)8-6-13(23(20)36)14-5-7-15(33)19-24(37)21-16(34)10-12(2)28(40)32(21,30(42)44-4)46-26(14)19/h5-8,11-12,27-28,33-36,39-40H,9-10H2,1-4H3/t11-,12-,27+,28+,31+,32+/m1/s1
SMILES	COC(=O)[C@]12OC3=CC=C(C4=C5O[C@@]6(C(=O)OC)C(=C(O)C[C@@H](C)[C@@H]6O)C(=O)C5=C(O)C=C4)C(O)=C3C(=O)C1=C(O)C[C@@H](C)[C@@H]2O

ORIGINAL ISOLATION REFERENCE

CITATION	El-Elimat, Tamam; Figueroa, Mario; Raja, Huzefa A.; Graf, Tyler N.; Swanson, Steven M.; Falkinham, Joseph O.; Wani, Mansukh C.; Pearce, Cedric J.; Oberlies, Nicholas H. Biosynthetically distinct cytotoxic polyketides from setophoma terrestris Journal of Organic Chemistry 2015 2015 (1) 109-121.
DOI	10.1002/ejoc.201402984	PMID	25574154

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	Setophoma	MycoBank	798159

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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