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Compounds

COMPOUND NPA007401

STRUCTURE

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PROPERTIES

NPAID	NPA007401
CLUSTER ID	66
NODE ID	62
NAME	12-deacetylphomoxanthone
FORMULA	C36H36O15
MOLECULAR WEIGHT (Da)	708.6690
ACCURATE MASS (Da)	708.2054
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Phomopsis
ORIGIN SPECIES	longicolla
InChIKey	CJMACRHPNHADNA-PGQKKIPJSA-N
InChI	InChI=1S/C36H36O15/c1-14-10-23(43)27-29(45)25-21(41)8-6-19(31(25)50-35(27,12-37)33(14)48-17(4)39)20-7-9-22(42)26-30(46)28-24(44)11-15(2)34(49-18(5)40)36(28,51-32(20)26)13-47-16(3)38/h6-9,14-15,33-34,37,41-42,45-46H,10-13H2,1-5H3/t14-,15-,33-,34-,35+,36+/m0/s1
SMILES	C[C@H]1CC(=O)C2=C(C3=C(C=CC(=C3O[C@]2([C@H]1OC(=O)C)CO)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)O

ORIGINAL ISOLATION REFERENCE

CITATION	Rönsberg, David; Debbab, Abdessamad; Mándi, Attila; Vasylyeva, Vera; Böhler, Philip; Stork, Björn; Engelke, Laura; Hamacher, Alexandra; Sawadogo, Richard; Diederich, Marc; Wray, Victor; Lin, WenHan; Kassack, Matthias U; Janiak, Christoph; Scheu, Stefanie; Wesselborg, Sebastian; Kurtán, Tibor; Aly, Amal H; Proksch, Peter Pro-apoptotic and immunostimulatory tetrahydroxanthone dimers from the endophytic fungus Phomopsis longicolla. Journal of Organic Chemistry 2013 78 (24) 12409-12425.
DOI	10.1021/jo402066b	PMID	24295452

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Genus	Phomopsis	MycoBank	34399

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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