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Compounds

COMPOUND NPA033121

STRUCTURE

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PROPERTIES

NPAID	NPA033121
CLUSTER ID	415
NODE ID	374
NAME	Anabenopeptin 802b
FORMULA	C42H58N8O8
MOLECULAR WEIGHT (Da)	802.9740
ACCURATE MASS (Da)	802.4378
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Brasilonema
ORIGIN SPECIES	sp. CT11
InChIKey	RZTDEMLYEYEFOR-OJSTXZMLSA-N
InChI	InChI=1S/C42H58N8O8/c1-24(2)20-32-39(54)47-34(22-28-23-44-30-17-11-10-16-29(28)30)40(55)50(6)26(5)36(51)45-33(21-27-14-8-7-9-15-27)37(52)43-19-13-12-18-31(38(53)46-32)48-42(58)49-35(25(3)4)41(56)57/h7-11,14-17,23-26,31-35,44H,12-13,18-22H2,1-6H3,(H,43,52)(H,45,51)(H,46,53)(H,47,54)(H,56,57)(H2,48,49,58)/t26-,31-,32-,33-,34-,35+/m1/s1
SMILES	CC(C)C[C@H]1NC(=O)[C@H](NC(=O)N[C@H](C(=O)O)C(C)C)CCCCNC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](CC2=C[NH]C3=CC=CC=C23)NC1=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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