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Compounds

COMPOUND NPA002873

STRUCTURE

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PROPERTIES

NPAID	NPA002873
CLUSTER ID	1661
NODE ID	1361
NAME	Cucurbitacin B oleyl ester
FORMULA	C50H78O9
MOLECULAR WEIGHT (Da)	823.1650
ACCURATE MASS (Da)	822.5646
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Leucopaxillus
ORIGIN SPECIES	gentianeus
InChIKey	OBAIMZMTBKKNFQ-ZAGVHFGVSA-N
InChI	InChI=1S/C50H78O9/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-42(55)58-38-32-47(7)39-28-27-35-36(31-37(52)44(56)46(35,5)6)49(39,9)41(54)33-48(47,8)43(38)50(10,57)40(53)29-30-45(3,4)59-34(2)51/h18-19,27,29-30,36-39,43,52,57H,11-17,20-26,28,31-33H2,1-10H3/b19-18-,30-29+/t36-,37+,38-,39+,43?,47+,48-,49+,50?/m1/s1
SMILES	CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H]1C[C@]2([C@@H]3CC=C4[C@H]([C@@]3(C(=O)C[C@@]2(C1C(C)(C(=O)/C=C/C(C)(C)OC(=O)C)O)C)C)C[C@@H](C(=O)C4(C)C)O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Clericuzio, Marco; Mella, Mariella; Vita-Finzi, Paola; Zema, Michele; Vidari, Giovanni Cucurbitane triterpenoids from Leucopaxillus gentianeus Journal of Natural Products 2004 67 (11) 1823-1828.
DOI	10.1021/np049883o	PMID	15568769

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	Leucopaxillus	MycoBank	71892

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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