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Compounds

COMPOUND NPA017452

STRUCTURE

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PROPERTIES

NPAID	NPA017452
CLUSTER ID	26
NODE ID	25
NAME	Cyanopeptolin 972
FORMULA	C46H72N10O13
MOLECULAR WEIGHT (Da)	973.1390
ACCURATE MASS (Da)	972.5280
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Microcystis
ORIGIN SPECIES	sp.
InChIKey	NKYQWHNOQNOLGP-ONNRHKKVSA-N
InChI	InChI=1S/C46H72N10O13/c1-8-9-10-13-34(58)50-31(23-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(22-27-14-16-28(57)17-15-27)55(7)44(67)33(21-24(2)3)56-35(59)19-18-30(43(56)66)52-39(62)29(51-42(38)65)12-11-20-49-46(47)48/h14-17,24-26,29-33,35,37-38,57,59H,8-13,18-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)/t26-,29+,30+,31+,32+,33+,35-,37+,38+/m1/s1
SMILES	CCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)[C@@H](NC1=O)CCCN=C(N)N)O)CC(C)C)C)CC3=CC=C(C=C3)O)C(C)C)C

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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