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Compounds

COMPOUND NPA004531

STRUCTURE

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PROPERTIES

NPAID	NPA004531
CLUSTER ID	66
NODE ID	62
NAME	Penexanthone A
FORMULA	C36H36O15
MOLECULAR WEIGHT (Da)	708.6690
ACCURATE MASS (Da)	708.2054
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	sp. CR1642D
InChIKey	USOJRHBNMMQMLV-NKSNWBLISA-N
InChI	InChI=1S/C36H36O15/c1-14-10-22(42)27-31(46)26-24(50-35(27,12-37)33(14)48-17(4)39)9-7-19(29(26)44)20-6-8-21(41)25-30(45)28-23(43)11-15(2)34(49-18(5)40)36(28,51-32(20)25)13-47-16(3)38/h6-9,14-15,33-34,37,41,44-46H,10-13H2,1-5H3/t14-,15-,33-,34-,35+,36+/m1/s1
SMILES	C[C@@H]1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C5C(=C(C=C4)O)C(=C6C(=O)C[C@H]([C@H]([C@]6(O5)COC(=O)C)OC(=O)C)C)O)O[C@@]2([C@@H]1OC(=O)C)CO)O

ORIGINAL ISOLATION REFERENCE

CITATION	Cao, Shugeng; McMillin, Douglas W.; Tamayo, Giselle; Delmore, Jake; Mitsiades, Constantine S.; Clardy, Jon Inhibition of tumor cells interacting with stromal cells by xanthones isolated from a Costa Rican Penicillium sp Journal of Natural Products 2012 75 (4) 793-797.
DOI	10.1021/np2009863	PMID	22458669

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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