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Compounds

COMPOUND NPA007776

STRUCTURE

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PROPERTIES

NPAID	NPA007776
CLUSTER ID	282
NODE ID	256
NAME	Gymnastatin R
FORMULA	C23H33Cl2NO4
MOLECULAR WEIGHT (Da)	458.4260
ACCURATE MASS (Da)	457.1787
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Gymnascella
ORIGIN SPECIES	sp.
InChIKey	WDCSNVYLZCMUNB-WFXSWVRYSA-N
InChI	InChI=1S/C23H33Cl2NO4/c1-4-5-6-7-8-15(2)11-16(3)9-10-19(27)26-18-13-22(30)12-17(24)20(28)23(25,14-22)21(18)29/h9-12,15,18,21,29-30H,4-8,13-14H2,1-3H3,(H,26,27)/b10-9+,16-11+/t15-,18+,21+,22-,23+/m1/s1
SMILES	CCCCCC[C@@H](C)/C=C(\C)/C=C/C(=O)N[C@H]1C[C@]2(C[C@@]([C@H]1O)(C(=O)C(=C2)Cl)Cl)O

ORIGINAL ISOLATION REFERENCE

CITATION	Amagata, Taro; Tanaka, Makoto; Yamada, Takeshi; Minoura, Katsuhiko; Numata, Atsushi Gymnastatins and Dankastatins, Growth Inhibitory Metabolites of a Gymnascella Species from a Halichondria Sponge† Journal of Natural Products 2008 71 (3) 340-345.
DOI	10.1021/np070529a	PMID	18284207

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Eurotiomycetes	MycoBank	147545
Order	Onygenales	MycoBank	33183
Family	Gymnoascaceae	MycoBank	37243
Genus	Gymnascella	MycoBank	78593

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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