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Compounds

ID	Spectrum Quality	Annotated Name
CCMSLIB00005730155	Gold	3
CCMSLIB00005730619	Gold	3
CCMSLIB00005730950	Gold	3
CCMSLIB00005731073	Gold	3
CCMSLIB00005731555	Gold	3
CCMSLIB00005732016	Gold	3
CCMSLIB00005732528	Gold	3
CCMSLIB00005733369	Gold	3
CCMSLIB00005734271	Gold	3
CCMSLIB00005734890	Gold	3
CCMSLIB00005734895	Gold	3
CCMSLIB00005735214	Gold	3
CCMSLIB00005735595	Gold	3
CCMSLIB00005736200	Gold	3
CCMSLIB00005736258	Gold	3
CCMSLIB00000570036	Gold	3
CCMSLIB00000570370	Gold	3
CCMSLIB00000569800	Gold	3
CCMSLIB00000566658	Gold	3
CCMSLIB00000570702	Gold	3
CCMSLIB00000565953	Gold	3
CCMSLIB00000566834	Gold	3
CCMSLIB00000566461	Gold	3
CCMSLIB00000566464	Gold	3
CCMSLIB00000566828	Gold	3
CCMSLIB00000566467	Gold	3
CCMSLIB00000566708	Gold	3
CCMSLIB00000566503	Gold	3
CCMSLIB00011428487	Gold	3

COMPOUND NPA027612

STRUCTURE

Image structure

EXPORT OPTIONS	PNG JSON SDF
PROJECT MOLECULE TO GLOBAL VIEW	See Global

EXTERNAL LINKS

PROPERTIES

NPAID	NPA027612
CLUSTER ID	50
NODE ID	46
NAME	MC-LA
FORMULA	C46H67N7O12
MOLECULAR WEIGHT (Da)	910.0790
ACCURATE MASS (Da)	909.4848
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Microcystis
ORIGIN SPECIES	aeruginosa B2666
InChIKey	DIAQQISRBBDJIM-DRSCAGMXSA-N
InChI	InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
SMILES	C=C1C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)[C@H](C)C(=O)N[C@@H](C(=O)O)CCC(=O)N1C

ORIGINAL ISOLATION REFERENCE

CITATION	Botes D; Tuinman A; Wessels P; Viljoen C; Kruger H; Williams D; Santikarn S; Smith R; Hammond S The structure of cyanoginosin-LA, a cyclic heptapeptide toxin from the cyanobacterium Microcystis aeruginosa Journal of the Chemical Society, Perkin Transactions 1 1984 2311.
DOI	10.1039/p19840002311	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	Microcystaceae	LPSN	1890449
Genus	Microcystis	LPSN	1125

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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