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Compounds

COMPOUND NPA028685

STRUCTURE

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PROPERTIES

NPAID	NPA028685
CLUSTER ID	50
NODE ID	46
NAME	MC-VA
FORMULA	C45H65N7O12
MOLECULAR WEIGHT (Da)	896.0520
ACCURATE MASS (Da)	895.4691
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Hapalosiphon
ORIGIN SPECIES	sp.
InChIKey	IFVHFRYOHFIXJA-JDFQIOQSSA-N
InChI	InChI=1S/C45H65N7O12/c1-23(2)36-43(59)51-37(45(62)63)27(6)39(55)46-28(7)40(56)48-32(18-17-24(3)21-25(4)34(64-11)22-31-15-13-12-14-16-31)26(5)38(54)49-33(44(60)61)19-20-35(53)52(10)30(9)42(58)47-29(8)41(57)50-36/h12-18,21,23,25-29,32-34,36-37H,9,19-20,22H2,1-8,10-11H3,(H,46,55)(H,47,58)(H,48,56)(H,49,54)(H,50,57)(H,51,59)(H,60,61)(H,62,63)/b18-17+,24-21+/t25-,26-,27-,28-,29+,32-,33+,34-,36-,37+/m0/s1
SMILES	C=C1C(=O)N[C@H](C)C(=O)N[C@@H](C(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	Fewer DP; Rouhiainen L; Jokela J; Wahlsten M; Laakso K; Wang H; Sivonen K Recurrent adenylation domain replacement in the microcystin synthetase gene cluster. BMC Evolutionary Biology 2007 7 183.
DOI	10.1186/1471-2148-7-183	PMID	17908306

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Nostocales	LPSN	1161
Family	Hapalosiphonaceae	LPSN	1892263
Genus	Hapalosiphon	LPSN	162985

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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