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Compounds

COMPOUND NPA003565

STRUCTURE

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PROPERTIES

NPAID	NPA003565
CLUSTER ID	1958
NODE ID	1572
NAME	Echinodol
FORMULA	C32H50O4
MOLECULAR WEIGHT (Da)	498.7480
ACCURATE MASS (Da)	498.3709
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Echinodontium
ORIGIN SPECIES	tinctorium
InChIKey	CPTYJLQLCCZXEV-VHHSCEHSSA-N
InChI	InChI=1S/C32H50O4/c1-18(2)16-23-28(35-20(4)33)19(3)27-24(36-23)17-32(9)22-10-11-25-29(5,6)26(34)13-14-30(25,7)21(22)12-15-31(27,32)8/h16,19,23-28,34H,10-15,17H2,1-9H3/t19-,23-,24+,25?,26-,27-,28+,30+,31+,32-/m0/s1
SMILES	C[C@H]1[C@H]2[C@@H](C[C@@]3([C@@]2(CCC4=C3CCC5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)O[C@H]([C@@H]1OC(=O)C)C=C(C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Bond, F T; Fullerton, D S; Sciuchetti, L A; Catalfomo, P The isolation and structure of echinodol, a triterpene acetate Journal of the American Chemical Society 1966 88 (16) 3882-3883.
DOI	10.1021/ja00968a052	PMID	5916380

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Basidiomycota	MycoBank	5204
Class	Agaricomycetes	MycoBank	155619
Order	Russulales	MycoBank	452342
Family	Bondarzewiaceae	MycoBank	40420
Genus	Echinodontium	MycoBank	40439

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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