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Compounds

COMPOUND NPA033122

STRUCTURE

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PROPERTIES

NPAID	NPA033122
CLUSTER ID	415
NODE ID	374
NAME	Anabaenopeptin 816
FORMULA	C43H60N8O8
MOLECULAR WEIGHT (Da)	817.0010
ACCURATE MASS (Da)	816.4534
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Brasilonema
ORIGIN SPECIES	sp. CT11
InChIKey	WVXAUVZLKOOHBO-NWWUHOQDSA-N
InChI	InChI=1S/C43H60N8O8/c1-7-25(3)35-40(55)47-34(23-29-24-45-31-19-13-12-18-30(29)31)41(56)51(6)27(5)37(52)46-33(22-28-16-10-9-11-17-28)38(53)44-21-15-14-20-32(39(54)49-35)48-43(59)50-36(42(57)58)26(4)8-2/h9-13,16-19,24-27,32-36,45H,7-8,14-15,20-23H2,1-6H3,(H,44,53)(H,46,52)(H,47,55)(H,49,54)(H,57,58)(H2,48,50,59)/t25?,26?,27-,32-,33-,34-,35-,36+/m1/s1
SMILES	CCC(C)[C@H](NC(=O)N[C@@H]1CCCCNC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@@H](C(C)CC)NC1=O)C(=O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Saha, Subhasish; Esposito, Germana; Urajová, Petra; Mareš, Jan; Ewe, Daniela; Caso, Alessia; Macho, Markéta; Delawská, Kateřina; Kust, Andreja; Hrouzek, Pavel; Juráň, Josef; Costantino, Valeria; Saurav, Kumar Discovery of Unusual Cyanobacterial Tryptophan-Containing Anabaenopeptins by MS/MS-Based Molecular Networking. Molecules 2020 25 (17) 3786.
DOI	10.3390/molecules25173786	PMID	32825321

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Nostocales	LPSN	1161
Family	Scytonemataceae	LPSN	1182
Genus	Brasilonema	LPSN	-

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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