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Compounds

COMPOUND NPA010942

STRUCTURE
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PROPERTIES
NPAID NPA010942
CLUSTER ID 4295
NODE ID 3166
NAME Amicoumacin B
FORMULA C20H30N2O9
MOLECULAR WEIGHT (Da) 442.4650
ACCURATE MASS (Da) 442.1951
ORIGIN ORGANISM TYPE Bacterium
ORIGIN GENUS Bacillus
ORIGIN SPECIES pumilus BN-103
InChIKey ZVMJOYORHWNPCZ-MLXNOORUSA-N
InChI InChI=1S/C20H30N2O9/c1-9(2)6-12(22-19(29)18(28)17(27)11(21)8-15(25)26)14(24)7-10-4-3-5-13(23)16(10)20(30)31/h3-5,9,11-12,14,17-18,23-24,27-28H,6-8,21H2,1-2H3,(H,22,29)(H,25,26)(H,30,31)/t11?,12-,14?,17?,18-/m0/s1
SMILES CC(C)C[C@@H](C(CC1=C(C(=CC=C1)O)C(=O)O)O)NC(=O)[C@H](C(C(CC(=O)O)N)O)O
ORIGINAL ISOLATION REFERENCE
CITATION Itoh, Jiro; Omoto, Shoji; Nishizawa, Nobusuke; Kodama, Yoshio; Inouye, Shigeharu Chemical Structures of Amicoumacins Produced by Bacillus pumilus Agricultural and Biological Chemistry 1982 46 (11) 2659-2665.
DOI 10.1080/00021369.1982.10865491 PMID -
ORIGINAL ISOLATION TAXONOMY
RANK NAME DB LINK NCBI
Domain Bacteria LPSN 2
Phylum Firmicutes LPSN 1239
Class Bacilli LPSN 91061
Order Bacillales LPSN 1385
Family Bacillaceae LPSN 186817
Genus Bacillus LPSN 1386
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