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Compounds

COMPOUND NPA002892

STRUCTURE

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PROPERTIES

NPAID	NPA002892
CLUSTER ID	173
NODE ID	162
NAME	3α-oxepanoquercinic acid C
FORMULA	C31H50O5
MOLECULAR WEIGHT (Da)	502.7360
ACCURATE MASS (Da)	502.3658
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Daedalea
ORIGIN SPECIES	quercina
InChIKey	PEJVRURWUPBFOY-KLBYFCBYSA-N
InChI	InChI=1S/C31H50O5/c1-17-16-31(35,19(3)18(2)26(33)34)36-25-15-22-21(29(7)14-11-20(17)30(25,29)8)9-10-23-27(4,5)24(32)12-13-28(22,23)6/h17-20,23-25,32,35H,9-16H2,1-8H3,(H,33,34)/t17-,18?,19-,20-,23+,24-,25-,28-,29+,30+,31?/m1/s1
SMILES	C[C@@H]1CC(O[C@@H]2CC3=C(CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)O)C)[C@]5([C@]2([C@@H]1CC5)C)C)([C@H](C)C(C)C(=O)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Roesecke, Joachim; Koenig, Wilfried A Constituents of the fungi Daedalea quercina and Daedaleopsis confragosa var. tricolor Phytochemistry 2000 54 (8) 757-762.
DOI	10.1016/s0031-9422(00)00130-8	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Basidiomycota	MycoBank	5204
Class	Agaricomycetes	MycoBank	155619
Order	Polyporales	MycoBank	5303
Family	Fomitopsidaceae	MycoBank	1769247
Genus	Daedalea	MycoBank	40436

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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