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Compounds

COMPOUND NPA012735

STRUCTURE
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PROPERTIES
NPAID NPA012735
CLUSTER ID 2677
NODE ID 2078
NAME Brasilicardin A
FORMULA C45H68N2O16
MOLECULAR WEIGHT (Da) 893.0370
ACCURATE MASS (Da) 892.4569
ORIGIN ORGANISM TYPE Bacterium
ORIGIN GENUS Nocardia
ORIGIN SPECIES brasiliensis IFM 0406
InChIKey SAZHWKBRJJLWKC-AWWLABOASA-N
InChI InChI=1S/C45H68N2O16/c1-20-12-13-30-44(6,25(20)17-26(58-8)31(46)39(55)56)15-14-29-43(4,5)38(54)27(18-45(29,30)7)60-42-35(53)37(36(21(2)59-42)62-40(57)23-10-9-11-24(50)16-23)63-41-32(47-22(3)49)34(52)33(51)28(19-48)61-41/h9-12,16,21,25-38,41-42,48,50-54H,13-15,17-19,46H2,1-8H3,(H,47,49)(H,55,56)/t21-,25-,26-,27-,28+,29+,30-,31-,32+,33+,34+,35+,36-,37-,38+,41-,42-,44-,45+/m0/s1
SMILES C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@@]3([C@H](CC[C@@]4([C@@H]3CC=C([C@@H]4C[C@@H]([C@@H](C(=O)O)N)OC)C)C)C([C@@H]2O)(C)C)C)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)OC(=O)C6=CC(=CC=C6)O
ORIGINAL ISOLATION REFERENCE
CITATION Shigemori, Hideyuki; Komaki, Hisayuki; Yazawa, Katsukiyo; Mikami, Yuzuru; Nemoto, Akira; Tanaka, Yasushi; Sasaki, Takuma; In, Yasuko; Ishida, Toshimasa; Kobayashi, Jun'ichi Brasilicardin A. A Novel Tricyclic Metabolite with Potent Immunosuppressive Activity from Actinomycete Nocardiabrasiliensis Journal of Organic Chemistry 1998 63 (20) 6900.
DOI 10.1021/jo9807114 PMID 11672311
ORIGINAL ISOLATION TAXONOMY
RANK NAME DB LINK NCBI
Domain Bacteria LPSN 2
Phylum Actinobacteria LPSN 201174
Class Actinobacteria LPSN -
Order Corynebacteriales LPSN 85007
Family Nocardiaceae LPSN 85025
Genus Nocardia LPSN 1817
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