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Compounds

COMPOUND NPA019250

STRUCTURE

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PROPERTIES

NPAID	NPA019250
CLUSTER ID	982
NODE ID	846
NAME	Methyldavallialactone
FORMULA	C26H22O9
MOLECULAR WEIGHT (Da)	478.4530
ACCURATE MASS (Da)	478.1264
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Inonotus
ORIGIN SPECIES	xeranticus
InChIKey	LDTVSIZNVSZWDV-DSJLGJJVSA-N
InChI	InChI=1S/C26H22O9/c1-13-9-20(30)23(25(34-13)15-5-8-17(27)19(29)11-15)24-21(31)12-16(35-26(24)32)6-3-14-4-7-18(28)22(10-14)33-2/h3-12,23,25,27-29,31H,1-2H3/b6-3+/t23-,25-/m1/s1
SMILES	CC1=CC(=O)[C@@H]([C@H](O1)C2=CC(=C(C=C2)O)O)C3=C(C=C(OC3=O)/C=C/C4=CC(=C(C=C4)O)OC)O

ORIGINAL ISOLATION REFERENCE

CITATION	Lee, In-Kyoung; Yun, Bong-Sik Hispidin analogs from the mushroom Inonotus xeranticus and their free radical scavenging activity Bioorganic and Medicinal Chemistry Letters 2006 16 (9) 2376-2379.
DOI	10.1016/j.bmcl.2006.01.121	PMID	16488146

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Basidiomycota	MycoBank	5204
Class	Agaricomycetes	MycoBank	155619
Order	Hymenochaetales	MycoBank	139380
Family	Hymenochaetaceae	MycoBank	40424
Genus	Inonotus	MycoBank	40468

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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