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Compounds

COMPOUND NPA003161

STRUCTURE

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PROPERTIES

NPAID	NPA003161
CLUSTER ID	1791
NODE ID	191
NAME	Guanacastepene I
FORMULA	C21H30O5
MOLECULAR WEIGHT (Da)	362.4660
ACCURATE MASS (Da)	362.2093
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Unknown-fungus
ORIGIN SPECIES	sp. cR115
InChIKey	SKXOFLYXSQQRDX-PPWBCYONSA-N
InChI	InChI=1S/C21H30O5/c1-10(2)13-18(25-5)16(23)15-17-14-12(19(24)26-17)11(22)6-7-20(14,3)8-9-21(13,15)4/h10-11,13,18-19,22,24H,6-9H2,1-5H3/t11-,13-,18+,19-,20-,21+/m0/s1
SMILES	CC(C)[C@H]1[C@H](C(=O)C2=C3C4=C([C@H](CC[C@]4(CC[C@]12C)C)O)[C@H](O3)O)OC

ORIGINAL ISOLATION REFERENCE

CITATION	Brady, Sean F.; Bondi, Shana M.; Clardy, Jon The Guanacastepenes: A Highly Diverse Family of Secondary Metabolites Produced by an Endophytic Fungus Journal of the American Chemical Society 2001 123 (40) 9900-9901.
DOI	10.1021/ja016176y	PMID	11583556

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Genus	Unknown-fungus	MycoBank	-

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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