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Compounds

COMPOUND NPA006267

STRUCTURE

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PROPERTIES

NPAID	NPA006267
CLUSTER ID	2938
NODE ID	1216
NAME	5-Acetoxyoxachamigrene
FORMULA	C17H26BrClO3
MOLECULAR WEIGHT (Da)	393.7490
ACCURATE MASS (Da)	392.0754
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Unknown-fungus
ORIGIN SPECIES	sp.
InChIKey	DVONIFXCMJQOGF-OGOWZMLDSA-N
InChI	InChI=1S/C17H26BrClO3/c1-10(20)21-13-9-15(4,19)11(18)8-17(13)14(2,3)12-6-7-16(17,5)22-12/h11-13H,6-9H2,1-5H3/t11-,12?,13-,15-,16?,17+/m1/s1
SMILES	CC(=O)O[C@@H]1C[C@@]([C@@H](C[C@@]12C(C3CCC2(O3)C)(C)C)Br)(C)Cl

ORIGINAL ISOLATION REFERENCE

CITATION	Brito, Inmaculada; Cueto, Mercedes; Díaz-Marrero, Ana R; Darias, José; San Martín, Aurelio Oxachamigrenes, new halogenated sesquiterpenes from Laurencia obtusa Journal of Natural Products 2002 65 (6) 946-948.
DOI	10.1021/np010580t	PMID	12088448

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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