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Compounds

COMPOUND NPA013599

STRUCTURE
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PROPERTIES
NPAID NPA013599
CLUSTER ID 283
NODE ID 257
NAME Spumigin B1
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-DXHIOLLYSA-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
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