Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA014056
PROPERTIES
NPAID | NPA014056 |
---|---|
CLUSTER ID | 972 |
NODE ID | 839 |
NAME | Kibdelone B |
FORMULA | C29H26ClNO10 |
MOLECULAR WEIGHT (Da) | 583.9770 |
ACCURATE MASS (Da) | 583.1245 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Kibdelosporangium |
ORIGIN SPECIES | sp. MST‚Äê108465 |
InChIKey | NLEKAAIWXVERFW-MZFXBISCSA-N |
InChI | InChI=1S/C29H26ClNO10/c1-4-5-11-20(30)16-17(29(39)31(11)2)23(36)14-9(21(16)34)6-7-10-15(14)24(37)19-25(38)18-22(35)12(32)8-13(33)27(18)41-28(19)26(10)40-3/h12-13,22,32-33,35,37H,4-8H2,1-3H3/t12-,13-,22-/m0/s1 |
SMILES | CCCC1=C(C2=C(C(=O)C3=C(C2=O)CCC4=C(C5=C(C(=C43)O)C(=O)C6=C(O5)[C@H](C[C@@H]([C@@H]6O)O)O)OC)C(=O)N1C)Cl |
ORIGINAL ISOLATION REFERENCE
CITATION | Ratnayake, Ranjala; Lacey, Ernest; Tennant, Shaun; Gill, Jennifer H; Capon, Robert J Kibdelones: novel anticancer polyketides from a rare Australian actinomycete Chemistry - A European Journal 2007 13 (5) 1610-1619. | ||
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DOI | 10.1002/chem.200601236 | PMID | 17091523 |