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Compounds

COMPOUND NPA005892

STRUCTURE

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PROPERTIES

NPAID	NPA005892
CLUSTER ID	69
NODE ID	64
NAME	Ergosta-7,22-diene-3-one
FORMULA	C28H44O
MOLECULAR WEIGHT (Da)	396.6590
ACCURATE MASS (Da)	396.3392
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Fomes
ORIGIN SPECIES	fomentarius
InChIKey	AHWOEMBXZXGDBQ-LYDJHEMHSA-N
InChI	InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-21,24-26H,9,11-17H2,1-6H3/t19?,20-,21?,24-,25+,26+,27+,28-/m1/s1
SMILES	C[C@H](C=CC(C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CCC4[C@@]3(CCC(=O)C4)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Arthur, HR; Halsall, TG; Smith, RD 528. The chemistry of triterpenes and related compounds. Part XXXIII. The isolation of ergosta-7: 22-dien-3-one from Fomes fomentarius Journal of the Chemical Society 1958 2603-2605.
DOI	10.1039/jr9580002603	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	Polyporales	MycoBank	5303
Family	Polyporaceae	MycoBank	5317
Genus	Fomes	MycoBank	40441

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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