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Compounds

COMPOUND NPA006489

STRUCTURE

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PROPERTIES

NPAID	NPA006489
CLUSTER ID	3006
NODE ID	2300
NAME	Anachelin 2
FORMULA	C35H49N6O13+
MOLECULAR WEIGHT (Da)	761.8060
ACCURATE MASS (Da)	761.3352
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Cyanobacterium
ORIGIN SPECIES	sp.
InChIKey	BXTHEZGZPKLTGV-BSTYYEBESA-O
InChI	InChI=1S/C35H48N6O13/c1-17(45)31(40-30(50)11-20(46)10-29-22(14-42)39-35(54-29)21-6-4-5-7-26(21)47)34(53)38-24(16-44)33(52)37-23(15-43)32(51)36-19-8-18-9-27(48)28(49)12-25(18)41(2,3)13-19/h4-7,9,12,17,19-20,22-24,29,31,42-46H,8,10-11,13-16H2,1-3H3,(H6-,36,37,38,39,40,47,48,49,50,51,52,53)/p+1/t17-,19+,20-,22+,23+,24-,29+,31+/m1/s1
SMILES	C[C@H]([C@@H](C(=O)N[C@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H]1CC2=CC(=C(C=C2[N+](C1)(C)C)O)O)NC(=O)C[C@@H](C[C@H]3[C@@H](N=C(O3)C4=CC=CC=C4O)CO)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Itou, Yusai; Okada, Shigeru; Murakami, Masahiro Two structural isomeric siderophores from the freshwater cyanobacterium Anabaena cylindrica (NIES-19) Tetrahedron 2001 57 (44) 9093-9099.
DOI	10.1016/s0040-4020(01)00934-6	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Chroococcales	LPSN	1118
Family	Cyanobacteriaceae	LPSN	-
Genus	Cyanobacterium	LPSN	102234

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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