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Compounds

COMPOUND NPA009937

STRUCTURE

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PROPERTIES

NPAID	NPA009937
CLUSTER ID	283
NODE ID	257
NAME	Spumigin B2
FORMULA	C31H42N6O8
MOLECULAR WEIGHT (Da)	626.7110
ACCURATE MASS (Da)	626.3064
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Nodularia
ORIGIN SPECIES	spumigena AV1
InChIKey	MNCDUGJJFHDUNT-XAQLEQOKSA-N
InChI	InChI=1S/C31H42N6O8/c1-18-15-25(27(41)36-24(30(44)45)3-2-14-34-31(32)33)37(17-18)29(43)23(13-8-19-4-9-21(38)10-5-19)35-28(42)26(40)16-20-6-11-22(39)12-7-20/h4-7,9-12,18,23-26,38-40H,2-3,8,13-17H2,1H3,(H,35,42)(H,36,41)(H,44,45)(H4,32,33,34)/t18-,23+,24+,25-,26+/m0/s1
SMILES	C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=C(C=C2)O)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)N[C@H](CCCN=C(N)N)C(=O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Kiyonaga, Fujii; Sivonen, Kaarina; Adachi, Kyoko; Noguchi, Kazuyoshi; Sano, Hiroshi; et al. Comparative Study of Toxic and Non-toxic Cyanobacterial Products: Novel Peptides from Toxic Nodularia spumigena AV1 Tetrahedron Letters 1997 38 (31) 5525-5528.
DOI	10.1016/s0040-4039(97)01192-1	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Nostocales	LPSN	1161
Family	Aphanizomenonaceae	LPSN	1892259
Genus	Nodularia	LPSN	159191

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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