Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA005811
PROPERTIES
NPAID | NPA005811 |
---|---|
CLUSTER ID | 972 |
NODE ID | 839 |
NAME | 13-oxokibdelone A |
FORMULA | C29H22ClNO10 |
MOLECULAR WEIGHT (Da) | 579.9450 |
ACCURATE MASS (Da) | 579.0932 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Kibdelosporangium |
ORIGIN SPECIES | sp. MST‚Äê108465 |
InChIKey | JYHTXOUBYOQXGI-YTEVENLXSA-N |
InChI | InChI=1S/C29H22ClNO10/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/h6-7,12,22,32,35,37H,4-5,8H2,1-3H3/t12-,22-/m0/s1 |
SMILES | CCCC1=C(C2=C(C(=O)C3=C(C2=O)C=CC4=C3C(=C5C(=C4OC)OC6=C(C5=O)[C@H]([C@H](CC6=O)O)O)O)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. | ||
---|---|---|---|
DOI | 10.1002/chem.200601236 | PMID | 17091523 |