Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA008975
PROPERTIES
NPAID | NPA008975 |
---|---|
CLUSTER ID | 3774 |
NODE ID | 396 |
NAME | Thailandamide |
FORMULA | C43H59NO8 |
MOLECULAR WEIGHT (Da) | 717.9440 |
ACCURATE MASS (Da) | 717.4241 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Burkholderia |
ORIGIN SPECIES | thailandensis |
InChIKey | OLQJTQUNKZJRHG-SIMXWEICSA-N |
InChI | InChI=1S/C43H59NO8/c1-30(14-8-9-17-32(3)41(52-7)35(6)43(50)51)15-12-20-39(47)29-40(48)21-13-16-31(2)22-23-34(5)44-42(49)33(4)18-10-11-19-38(46)28-36-24-26-37(45)27-25-36/h8-17,21-27,33-35,38-39,41,45-47H,18-20,28-29H2,1-7H3,(H,44,49)(H,50,51)/b9-8+,11-10+,15-12+,21-13+,23-22+,30-14+,31-16+,32-17+ |
SMILES | CC(C/C=C/CC(CC1=CC=C(C=C1)O)O)C(=O)NC(C)/C=C/C(=C/C=C/C(=O)CC(C/C=C/C(=C/C=C/C=C(\C)/C(C(C)C(=O)O)OC)/C)O)/C |
ORIGINAL ISOLATION REFERENCE
CITATION | Ishida, Keishi; Lincke, Thorger; Hertweck, Christian Assembly and Absolute Configuration of Short-Lived Polyketides from Burkholderia thailandensis Angewandte Chemie International Edition 2012 51 (22) 5470-5474. | ||
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DOI | 10.1002/anie.201200067 | PMID | 22517609 |