Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA008090
PROPERTIES
NPAID | NPA008090 |
---|---|
CLUSTER ID | 93 |
NODE ID | 88 |
NAME | Epothilone N |
FORMULA | C26H40ClNO7S |
MOLECULAR WEIGHT (Da) | 546.1260 |
ACCURATE MASS (Da) | 545.2214 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Sorangium |
ORIGIN SPECIES | cellulosum |
InChIKey | JTOSCZWCJBMIDL-LNHNXMDESA-N |
InChI | InChI=1S/C26H40ClNO7S/c1-14-7-6-8-19(27)21(30)10-20(29)17(9-18-13-36-16(3)28-18)12-35-23(32)11-22(31)26(4,5)25(34)15(2)24(14)33/h9,13-15,19-22,24,29-31,33H,6-8,10-12H2,1-5H3/b17-9+/t14-,15+,19-,20+,21-,22-,24-/m0/s1 |
SMILES | C[C@H]1CCC[C@@H]([C@H](C[C@H](/C(=C/C2=CSC(=N2)C)/COC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)O)O)Cl |
ORIGINAL ISOLATION REFERENCE
CITATION | Lu, Chunhua; Liu, Xinli; Li, Yuezhong; Shen, Yuemao Two 18-membered epothilones from Sorangium cellulosum So0157-2 Journal of Antibiotics 2010 63 (9) 571-574. | ||
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DOI | 10.1038/ja.2010.81 | PMID | 20606695 |