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Compounds

COMPOUND NPA008527

STRUCTURE

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PROJECT MOLECULE TO GLOBAL VIEW	See Global

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PROPERTIES

NPAID	NPA008527
CLUSTER ID	46
NODE ID	11
NAME	Aquastatin A
FORMULA	C36H52O12
MOLECULAR WEIGHT (Da)	676.8000
ACCURATE MASS (Da)	676.3459
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Fusarium
ORIGIN SPECIES	aquaeductuum
InChIKey	PAQGKQJWHLLQLF-DIARTVEHSA-N
InChI	InChI=1S/C36H52O12/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-18-25(47-36-33(42)32(41)31(40)28(21-37)48-36)20-27(39)30(23)35(45)46-24-17-22(2)29(34(43)44)26(38)19-24/h17-20,28,31-33,36-42H,3-16,21H2,1-2H3,(H,43,44)/t28-,31+,32+,33-,36-/m1/s1
SMILES	CCCCCCCCCCCCCCCC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)O)O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Hamano; Kinoshita-Okami; Minagawa; Haruyama; Kinoshita; Hosoya; Furuya; Tabata; Hemmi; Tanzawa Aquastatin A, an inhibitor of mammalian adenosine triphosphatases from Fusarium aquaductuum. Taxonomy, fermentation, isolation, structure determination and biological properties Journal of Antibiotics 1993 46 (11) 1648-1657.
DOI	10.7164/antibiotics.46.1648	PMID	8270486

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Hypocreales	MycoBank	5125
Family	Nectriaceae	MycoBank	110618
Genus	Fusarium	MycoBank	5506

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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