Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA024669
PROPERTIES
NPAID | NPA024669 |
---|---|
CLUSTER ID | 2817 |
NODE ID | 1000 |
NAME | A80915C |
FORMULA | C26H33Cl3O6 |
MOLECULAR WEIGHT (Da) | 547.9030 |
ACCURATE MASS (Da) | 546.1343 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | sp. CNQ-525 |
InChIKey | XGGIVXWAYKZBIV-JBPAMENMSA-N |
InChI | InChI=1S/C26H33Cl3O6/c1-12-14(30)9-13-18(19(12)31)21(33)25(29)11-17(28)23(4,5)35-26(25,20(13)32)10-15-22(2,3)16(27)7-8-24(15,6)34/h9,15-17,30-31,34H,7-8,10-11H2,1-6H3/t15?,16-,17+,24-,25-,26-/m0/s1 |
SMILES | CC1=C(C=C2C(=C1O)C(=O)[C@]3(C[C@H](C(O[C@]3(C2=O)CC4[C@@](CC[C@@H](C4(C)C)Cl)(C)O)(C)C)Cl)Cl)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Winter JM; Moffitt MC; Zazopoulos E; McAlpine JB; Dorrestein PC; Moore BS Molecular basis for chloronium-mediated meroterpene cyclization: cloning, sequencing, and heterologous expression of the napyradiomycin biosynthetic gene cluster. Journal of Biological Chemistry 2007 282 (22) 16362-16368. | ||
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DOI | 10.1074/jbc.M611046200 | PMID | 17392281 |