Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA011825
PROPERTIES
NPAID | NPA011825 |
---|---|
CLUSTER ID | 972 |
NODE ID | 839 |
NAME | Kibdelone B rhamnoside |
FORMULA | C35H36ClNO14 |
MOLECULAR WEIGHT (Da) | 730.1190 |
ACCURATE MASS (Da) | 729.1824 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Kibdelosporangium |
ORIGIN SPECIES | sp. (MST‚Äê108465) |
InChIKey | GNHBMFNCGFYQQR-BQKZIZRYSA-N |
InChI | InChI=1S/C35H36ClNO14/c1-5-6-13-22(36)18-19(34(47)37(13)3)26(42)16-11(24(18)40)7-8-12-17(16)27(43)21-28(44)20-25(41)15(9-14(38)32(20)51-33(21)31(12)48-4)50-35-30(46)29(45)23(39)10(2)49-35/h10,14-15,23,25,29-30,35,38-39,41,43,45-46H,5-9H2,1-4H3/t10-,14+,15+,23-,25+,29+,30+,35-/m1/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[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)C)O)O)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 |