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Compounds

COMPOUND NPA001789

STRUCTURE

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PROPERTIES

NPAID	NPA001789
CLUSTER ID	1134
NODE ID	969
NAME	Cylindrol A3
FORMULA	C28H40O6
MOLECULAR WEIGHT (Da)	472.6220
ACCURATE MASS (Da)	472.2825
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Cylindrocarpon
ORIGIN SPECIES	lucidum
InChIKey	DIYZHFWGNBYBAL-VLEPHYJKSA-N
InChI	InChI=1S/C28H40O6/c1-16(2)12-26(32)34-25(14-28(7)19(5)9-11-23(30)20(28)6)17(3)8-10-21-24(31)13-18(4)22(15-29)27(21)33/h8,13,15-16,19-20,25,31,33H,9-12,14H2,1-7H3/b17-8+/t19-,20+,25-,28+/m1/s1
SMILES	C[C@@H]1CCC(=O)[C@@H]([C@@]1(C)C[C@H](/C(=C/CC2=C(C=C(C(=C2O)C=O)C)O)/C)OC(=O)CC(C)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Singh, Sheo B.; Ball, Richard G.; Bills, Gerald F.; Cascales, Carmen; Gibbs, Jackson B.; Goetz, Michael A.; Hoogsteen, Karst; Jenkins, Rosalind G.; Liesch, Jerrold M.; Lingham, Russell B.; Silverman, Keith C.; Zink, Deborah L. Chemistry and biology of cylindrols: Novel inhibitors of Ras farnesyl-protein transferase from Cylindrocarpon lucidum Journal of Organic Chemistry 1996 61 (22) 7727-7737.
DOI	10.1021/jo961074p	PMID	11667727

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Hypocreales	MycoBank	5125
Family	Nectriaceae	MycoBank	110618
Genus	Cylindrocarpon	MycoBank	13474

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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