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Compounds

COMPOUND NPA002603

STRUCTURE

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PROPERTIES

NPAID	NPA002603
CLUSTER ID	69
NODE ID	64
NAME	Inoterpene A
FORMULA	C30H52O3
MOLECULAR WEIGHT (Da)	460.7430
ACCURATE MASS (Da)	460.3916
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Inonotus
ORIGIN SPECIES	obliquus
InChIKey	JFEXJRXYTKYHOD-LCWRUPSGSA-N
InChI	InChI=1S/C30H52O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-30(8)22-10-11-23-26(2,3)24(31)15-16-28(23,6)21(22)14-18-29(20,30)7/h19-20,23-25,31-33H,9-18H2,1-8H3/t19-,20-,23+,24+,25+,28-,29-,30+/m1/s1
SMILES	C[C@H](CC[C@@H](C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)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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