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Compounds

COMPOUND NPA002647

STRUCTURE

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PROPERTIES

NPAID	NPA002647
CLUSTER ID	69
NODE ID	64
NAME	3β,5α-dihydroxy-(22E,24R)-ergosta-22-en-7-one-6β-yl oleate
FORMULA	C46H78O5
MOLECULAR WEIGHT (Da)	711.1250
ACCURATE MASS (Da)	710.5849
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Tricholomopsis
ORIGIN SPECIES	rutilans
InChIKey	YEFGYSYQDJVEFQ-NFCNPGOKSA-N
InChI	InChI=1S/C46H78O5/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(48)51-43-42(49)41-38-27-26-37(35(5)25-24-34(4)33(2)3)44(38,6)30-29-39(41)45(7)31-28-36(47)32-46(43,45)50/h15-16,24-25,33-39,41,43,47,50H,8-14,17-23,26-32H2,1-7H3/b16-15-,25-24+/t34-,35+,36-,37+,38-,39-,41-,43+,44+,45+,46-/m0/s1
SMILES	CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H]1C(=O)[C@H]2[C@@H]3CC[C@@H]([C@]3(CC[C@@H]2[C@@]4([C@@]1(C[C@H](CC4)O)O)C)C)[C@H](C)/C=C/[C@H](C)C(C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Wang, F.; Liu, J.K. Two new steryl esters from the basidiomycete Tricholomopsis rutilans Steroids 2005 70 (2) 127-130.
DOI	10.1016/j.steroids.2004.10.007	PMID	15631869

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Basidiomycota	MycoBank	5204
Class	Agaricomycetes	MycoBank	155619
Order	Agaricales	MycoBank	5338
Family	Tricholomataceae	MycoBank	5351
Genus	Tricholomopsis	MycoBank	151293

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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