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Compounds

COMPOUND NPA002288

STRUCTURE

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PROPERTIES

NPAID	NPA002288
CLUSTER ID	70
NODE ID	65
NAME	methyl 25-hydroxy-3-epidehydrotumulosate
FORMULA	C32H50O5
MOLECULAR WEIGHT (Da)	514.7470
ACCURATE MASS (Da)	514.3658
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Poria
ORIGIN SPECIES	cocos
InChIKey	QYINWYSAHKZFTN-HSTXRIAUSA-N
InChI	InChI=1S/C32H50O5/c1-19(29(4,5)36)10-11-20(27(35)37-9)26-23(33)18-32(8)22-12-13-24-28(2,3)25(34)15-16-30(24,6)21(22)14-17-31(26,32)7/h12,14,20,23-26,33-34,36H,1,10-11,13,15-18H2,2-9H3/t20?,23-,24+,25-,26+,30-,31-,32+/m1/s1
SMILES	C[C@]12CC[C@H](C([C@@H]1CC=C3C2=CC[C@]4([C@]3(C[C@H]([C@@H]4C(CCC(=C)C(C)(C)O)C(=O)OC)O)C)C)(C)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Takaaki Tai; Tetsuro Shingu; Tohru Kikuchi; Yasuhiro Tezuka; Akira Akahori Triterpenes from the surface layer of Poria cocos Phytochemistry 1995 39 (5) 1165-1169.
DOI	10.1016/0031-9422(95)00110-s	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	Polyporaceae	MycoBank	5317
Genus	Poria	MycoBank	81051

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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