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Compounds

COMPOUND NPA018328

STRUCTURE

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PROPERTIES

NPAID	NPA018328
CLUSTER ID	70
NODE ID	65
NAME	Inonotsuoxide A
FORMULA	C30H50O3
MOLECULAR WEIGHT (Da)	458.7270
ACCURATE MASS (Da)	458.3760
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Inonotus
ORIGIN SPECIES	obliquus
InChIKey	DEFBHVGGCIFMGI-SAGOZZNJSA-N
InChI	InChI=1S/C30H50O3/c1-18(22-17-25(32)27(4,5)33-22)19-11-15-30(8)21-9-10-23-26(2,3)24(31)13-14-28(23,6)20(21)12-16-29(19,30)7/h18-19,22-25,31-32H,9-17H2,1-8H3/t18-,19+,22+,23-,24-,25-,28+,29+,30-/m0/s1
SMILES	C[C@@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)[C@H]5C[C@@H](C(O5)(C)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Nakata, Tomoko; Yamada, Takeshi; Taji, Sayaka; Ohishi, Hirofumi; Wada, Shun-Ichi; Tokuda, Harukuni; Sakuma, Kazuo; Tanaka, Reiko Structure determination of inonotsuoxides A and B and in vivo anti-tumor promoting activity of inotodiol from the sclerotia of Inonotus obliquus. Bioorganic and Medicinal Chemistry 2007 15 (1) 257-264.
DOI	10.1016/j.bmc.2006.09.064	PMID	17049251

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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