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Compounds

COMPOUND NPA028825

STRUCTURE

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PROPERTIES

NPAID	NPA028825
CLUSTER ID	26
NODE ID	25
NAME	Cl-Cyanopeptolin W
FORMULA	C47H65ClN10O13
MOLECULAR WEIGHT (Da)	1013.5470
ACCURATE MASS (Da)	1012.4421
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Microcystis
ORIGIN SPECIES	sp.
InChIKey	QEIMRSYKGCXPIU-PHZUTIMTSA-N
InChI	InChI=1S/C47H65ClN10O13/c1-6-24(2)38-46(70)71-25(3)39(56-41(65)31(52-26(4)59)16-19-37(62)63)43(67)53-30(13-10-20-51-47(49)50)40(64)54-32-15-18-36(61)58(44(32)68)34(22-27-11-8-7-9-12-27)45(69)57(5)33(42(66)55-38)23-28-14-17-35(60)29(48)21-28/h7-9,11-12,14,17,21,24-25,30-34,36,38-39,60-61H,6,10,13,15-16,18-20,22-23H2,1-5H3,(H,52,59)(H,53,67)(H,54,64)(H,55,66)(H,56,65)(H,62,63)(H4,49,50,51)/t24?,25-,30-,31?,32-,33-,34-,36+,38?,39-/m0/s1
SMILES	CCC(C)C1NC(=O)[C@H](CC2=CC(Cl)=C(O)C=C2)N(C)C(=O)[C@H](CC2=CC=CC=C2)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)C(CCC(=O)O)NC(C)=O)[C@H](C)OC1=O

ORIGINAL ISOLATION REFERENCE

CITATION	Welker M; Brunke M; Preussel K; Lippert I; von Döhren H Diversity and distribution of Microcystis (Cyanobacteria) oligopeptide chemotypes from natural communities studied by single-colony mass spectrometry. Microbiology 2004 150 (Pt 6) 1785-1796.
DOI	10.1099/mic.0.26947-0	PMID	15184565

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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