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Compounds

COMPOUND NPA017050

STRUCTURE

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PROPERTIES

NPAID	NPA017050
CLUSTER ID	5611
NODE ID	3971
NAME	Celesticetin
FORMULA	C24H36N2O9S
MOLECULAR WEIGHT (Da)	528.6240
ACCURATE MASS (Da)	528.2142
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Unknown-fungus
ORIGIN SPECIES	sp.
InChIKey	VMSQKUCYEMOKMM-AFJAYNRNSA-N
InChI	InChI=1S/C24H36N2O9S/c1-13(33-3)17(25-22(31)15-8-6-10-26(15)2)21-19(29)18(28)20(30)24(35-21)36-12-11-34-23(32)14-7-4-5-9-16(14)27/h4-5,7,9,13,15,17-21,24,27-30H,6,8,10-12H2,1-3H3,(H,25,31)/t13?,15-,17?,18-,19+,20+,21+,24+/m0/s1
SMILES	CC(C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)SCCOC(=O)C2=CC=CC=C2O)O)O)O)NC(=O)[C@@H]3CCCN3C)OC

ORIGINAL ISOLATION REFERENCE

CITATION	Hoeksema, Herman Celesticetin. V. Structure of celesticetin Journal of the American Chemical Society 1968 90 (3) 755-757.
DOI	10.1021/ja01005a036	PMID	5638307

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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