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Compounds

COMPOUND NPA002074

STRUCTURE

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PROPERTIES

NPAID	NPA002074
CLUSTER ID	69
NODE ID	64
NAME	Inotodiol
FORMULA	C30H50O2
MOLECULAR WEIGHT (Da)	442.7280
ACCURATE MASS (Da)	442.3811
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Inonotus
ORIGIN SPECIES	obliquus
InChIKey	KKWJCGCIAHLFNE-KFPHZHIMSA-N
InChI	InChI=1S/C30H50O2/c1-19(2)9-11-24(31)20(3)21-13-17-30(8)23-10-12-25-27(4,5)26(32)15-16-28(25,6)22(23)14-18-29(21,30)7/h9,20-21,24-26,31-32H,10-18H2,1-8H3/t20-,21+,24+,25-,26-,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](CC=C(C)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	De Reinach-Hirtzbach, F; Ourisson, G Structure de l'inotodiol (obliquol), triterpène tétracyclique Tetrahedron 1972 28 (8) 2259-2266.
DOI	10.1016/s0040-4020(01)93570-7	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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