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Compounds

COMPOUND NPA003779

STRUCTURE

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PROPERTIES

NPAID	NPA003779
CLUSTER ID	2054
NODE ID	1649
NAME	(3R,4S,5S,17R,20R)-3,17,20-trihydroxy-4-methylpregn-8-en-7-one
FORMULA	C22H34O4
MOLECULAR WEIGHT (Da)	362.5100
ACCURATE MASS (Da)	362.2457
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Phellinus
ORIGIN SPECIES	igniarius
InChIKey	MHAYDOHKEQXCEG-GLVQIBCTSA-N
InChI	InChI=1S/C22H34O4/c1-12-16-11-18(25)19-14(20(16,3)8-7-17(12)24)5-9-21(4)15(19)6-10-22(21,26)13(2)23/h12-13,15-17,23-24,26H,5-11H2,1-4H3/t12-,13+,15-,16-,17+,20+,21-,22-/m0/s1
SMILES	C[C@@H]1[C@@H](CC[C@]2([C@H]1CC(=O)C3=C2CC[C@]4([C@H]3CC[C@@]4([C@@H](C)O)O)C)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Wu, Xiuli; Lin, Sheng; Zhu, Chenggen; Yue, Zhenggang; Yu, Yang; Zhao, Feng; Liu, Bo; Dai, Jungui; Shi, Jiangong Homo- and Heptanor-sterols and tremulane sesquiterpenes from cultures of Phellinus igniarius Journal of Natural Products 2010 73 (7) 1294-1300.
DOI	10.1021/np100216k	PMID	20583752

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	Phellinus	MycoBank	40470

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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