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Compounds

COMPOUND NPA003630

STRUCTURE

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PROPERTIES

NPAID	NPA003630
CLUSTER ID	976
NODE ID	694
NAME	Nai414-A
FORMULA	C44H56Cl2N2O10
MOLECULAR WEIGHT (Da)	843.8420
ACCURATE MASS (Da)	842.3312
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Actinoallomurus
ORIGIN SPECIES	sp.
InChIKey	VHBXIUWGOHTVNV-QDTWRNHFSA-N
InChI	InChI=1S/C44H56Cl2N2O10/c1-6-24-20-44-38(51)33(41(55)58-44)37(50)43(7-2)25(12-10-8-9-11-17-42(44,5)21-27(24)40(53)54)14-15-26-28(43)16-13-22(3)36(26)57-32-19-30(49)34(23(4)56-32)48-39(52)35-29(45)18-31(46)47-35/h11,14-15,17-18,21-26,28,30,32,34,36,47,49-50H,6-10,12-13,16,19-20H2,1-5H3,(H,48,52)(H,53,54)/b17-11-,37-33?/t22-,23+,24-,25+,26-,28-,30+,32-,34+,36-,42-,43+,44+/m0/s1
SMILES	CC[C@H]1C[C@@]23C(=O)C(=C([C@@]4([C@H](CCCC/C=C\[C@]2(C=C1C(=O)O)C)C=C[C@H]5[C@@H]4CC[C@@H]([C@@H]5O[C@H]6C[C@H]([C@@H]([C@H](O6)C)NC(=O)C7=C(C=C(N7)Cl)Cl)O)C)CC)O)C(=O)O3

ORIGINAL ISOLATION REFERENCE

CITATION	Mazzetti, Carlo; Ornaghi, Mirko; Gaspari, Eleonora; Parapini, Silvia; Maffioli, Sonia; Sosio, Margherita; Donadio, Stefano Halogenated Spirotetronates from Actinoallomurus Journal of Natural Products 2012 75 (6) 1044-1050.
DOI	10.1021/np300003n	PMID	22616554

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Streptosporangiales	LPSN	85012
Family	Thermomonosporaceae	LPSN	2012
Genus	Actinoallomurus	LPSN	667113

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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