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Compounds

COMPOUND NPA012681

STRUCTURE

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PROPERTIES

NPAID	NPA012681
CLUSTER ID	4733
NODE ID	3436
NAME	Gymnasterone A
FORMULA	C45H67NO5
MOLECULAR WEIGHT (Da)	702.0330
ACCURATE MASS (Da)	701.5019
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Gymnascella
ORIGIN SPECIES	dankaliensis
InChIKey	TVFMBZOZGJABCW-ITNXSPAMSA-N
InChI	InChI=1S/C45H67NO5/c1-10-11-12-13-14-29(4)23-30(5)15-18-38(49)46-44(27-47)26-33-24-36(32(7)17-16-31(6)28(2)3)43(9)22-20-35-39(45(33,43)51)40(44)41(50)37-25-34(48)19-21-42(35,37)8/h15-18,23,25,27-29,31-36,48,51H,10-14,19-22,24,26H2,1-9H3,(H,46,49)/b17-16+,18-15+,30-23+/t29-,31+,32-,33-,34+,35+,36-,42-,43-,44+,45+/m1/s1
SMILES	CCCCCC[C@@H](C)/C=C(\C)/C=C/C(=O)N[C@@]1(C[C@H]2C[C@@H]([C@@]3([C@]2(C4=C1C(=O)C5=C[C@H](CC[C@@]5([C@H]4CC3)C)O)O)C)[C@H](C)/C=C/[C@H](C)C(C)C)C=O

ORIGINAL ISOLATION REFERENCE

CITATION	Amagata, Taro; Tanaka, Makoto; Yamada, Takeshi; Doi, Mitsunobu; Minoura, Katsuhiko; Ohishi, Hirofumi; Yamori, Takao; Numata, Atsushi Variation in cytostatic constituents of a sponge-derived Gymnascella dankaliensis by manipulating the carbon source Journal of Natural Products 2007 70 (11) 1731-1740.
DOI	10.1021/np070165m	PMID	17988094

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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