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Compounds

COMPOUND NPA000136

STRUCTURE

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PROPERTIES

NPAID	NPA000136
CLUSTER ID	69
NODE ID	64
NAME	Inoterpene E
FORMULA	C30H50O4
MOLECULAR WEIGHT (Da)	474.7260
ACCURATE MASS (Da)	474.3709
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Inonotus
ORIGIN SPECIES	obliquus
InChIKey	WKQMXHFMAPGWJI-ABNKVAORSA-N
InChI	InChI=1S/C30H50O4/c1-26(2,34-33)15-8-9-20(19-31)21-12-17-30(7)23-10-11-24-27(3,4)25(32)14-16-28(24,5)22(23)13-18-29(21,30)6/h8,15,20-21,24-25,31-33H,9-14,16-19H2,1-7H3/t20-,21+,24-,25-,28+,29+,30-/m0/s1
SMILES	C[C@]12CCC3=C([C@@]1(CC[C@@H]2[C@@H](CC=CC(C)(C)OO)CO)C)CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Nakamura, Seikou; Iwami, Junko; Matsuda, Hisashi; Mizuno, Shuichi; Yoshikawa, Masayuki Absolute stereostructures of inoterpenes A-F from sclerotia of Inonotus obliquus Tetrahedron 2009 65 (12) 2443-2450.
DOI	10.1016/j.tet.2009.01.076	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	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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