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Compounds

COMPOUND NPA008377

STRUCTURE

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PROPERTIES

NPAID	NPA008377
CLUSTER ID	1603
NODE ID	1314
NAME	Speciosin S
FORMULA	C13H22O4
MOLECULAR WEIGHT (Da)	242.3150
ACCURATE MASS (Da)	242.1518
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Hexagonia
ORIGIN SPECIES	speciosa
InChIKey	DTHXMJGGCSZXQA-LMMDMQGESA-N
InChI	InChI=1S/C13H22O4/c1-9(8-17-10(2)14)3-4-11-7-12(15)5-6-13(11)16/h3,11-13,15-16H,4-8H2,1-2H3/b9-3+/t11-,12+,13+/m1/s1
SMILES	C/C(=C\C[C@@H]1C[C@H](CC[C@@H]1O)O)/COC(=O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Jiang, Meng-Yuan; Li, Yan; Wang, Fei; Liu, Ji-Kai Isoprenylated cyclohexanoids from the basidiomycete Hexagonia speciosa Phytochemistry 2011 72 (9) 923-928.
DOI	10.1016/j.phytochem.2011.03.011	PMID	21477823

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	Hexagonia	MycoBank	114778

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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