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Compounds

COMPOUND NPA014121

STRUCTURE

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PROPERTIES

NPAID	NPA014121
CLUSTER ID	5085
NODE ID	3641
NAME	Shimalactone A
FORMULA	C29H40O4
MOLECULAR WEIGHT (Da)	452.6350
ACCURATE MASS (Da)	452.2927
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Emericella
ORIGIN SPECIES	variecolor
InChIKey	BNFUGVFXZSYVMT-HEGJJMKQSA-N
InChI	InChI=1S/C29H40O4/c1-11-16(3)22(30)28(9)20-17(4)12-15(2)13-26(20,7)21(28)18(5)14-27(8)24-19(6)23(31)29(27,10)25(32)33-24/h11-14,19-22,24,30H,1-10H3/b16-11+,18-14+/t19-,20-,21+,22+,24-,26+,27+,28+,29-/m0/s1
SMILES	C/C=C(\C)/[C@H]([C@@]1([C@H]2C(=CC(=C[C@]2([C@H]1/C(=C/[C@@]3([C@@H]4[C@H](C(=O)[C@]3(C(=O)O4)C)C)C)/C)C)C)C)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Wei, Hong; Itoh, Takuya; Kinoshita, Masahiro; Kotoku, Naoyuki; Aoki, Shunji; Kobayashi, Motomasa Shimalactone A, a novel polyketide, from marine-derived fungus Emericella variecolor GF10 Tetrahedron 2005 61 (33) 8054-8058.
DOI	10.1016/j.tet.2005.05.105	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Eurotiomycetes	MycoBank	147545
Order	Eurotiales	MycoBank	5042
Family	Trichocomaceae	MycoBank	28568
Genus	Emericella	MycoBank	5071

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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