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Compounds

COMPOUND NPA012102

STRUCTURE

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PROPERTIES

NPAID	NPA012102
CLUSTER ID	1239
NODE ID	1050
NAME	Ansacarbamitocin B1
FORMULA	C37H49ClN4O15
MOLECULAR WEIGHT (Da)	825.2650
ACCURATE MASS (Da)	824.2883
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Amycolatopsis
ORIGIN SPECIES	sp.
InChIKey	AKVZCVBTOJDQHC-WLRXPMOJSA-N
InChI	InChI=1S/C37H49ClN4O15/c1-17-8-7-9-27(52-6)37(51)15-25(56-36(50)41-37)19(3)11-18(2)24(55-35(49)40-5)14-28(45)42(22-12-21(10-17)13-23(44)29(22)38)33-31(47)30(46)32(57-34(39)48)26(54-33)16-53-20(4)43/h7-9,11-13,19,24-27,30-33,44,46-47,51H,10,14-16H2,1-6H3,(H2,39,48)(H,40,49)(H,41,50)/b9-7+,17-8+,18-11+/t19-,24-,25-,26-,27+,30-,31-,32-,33-,37-/m0/s1
SMILES	C[C@H]1/C=C(/[C@H](CC(=O)N(C2=C(C(=CC(=C2)C/C(=C/C=C/[C@H]([C@]3(C[C@@H]1OC(=O)N3)O)OC)/C)O)Cl)[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)COC(=O)C)OC(=O)N)O)O)OC(=O)NC)\C

ORIGINAL ISOLATION REFERENCE

CITATION	Snipes, Carl E; Duebelbeis, Dennis O; Olson, Monica; Hahn, Donald R; Dent, William H; Gilbert, Jeffrey R; Werk, Todd L; Davis, George E; Lee-Lu, Rebecca; Graupner, Paul R The ansacarbamitocins: polar ansamitocin derivatives Journal of Natural Products 2007 70 (10) 1578-1581.
DOI	10.1021/np070275t	PMID	17892263

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Pseudonocardiales	LPSN	85010
Family	Pseudonocardiaceae	LPSN	2070
Genus	Amycolatopsis	LPSN	1813

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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