Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA018318
PROPERTIES
NPAID | NPA018318 |
---|---|
CLUSTER ID | 93 |
NODE ID | 88 |
NAME | Epothilone M |
FORMULA | C26H39NO7S |
MOLECULAR WEIGHT (Da) | 509.6650 |
ACCURATE MASS (Da) | 509.2447 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Sorangium |
ORIGIN SPECIES | cellulosum |
InChIKey | RPAIUMQLLWRSES-WIELBLCUSA-N |
InChI | InChI=1S/C26H39NO7S/c1-14-7-6-8-20-21(34-20)10-19(28)17(9-18-13-35-16(3)27-18)12-33-23(30)11-22(29)26(4,5)25(32)15(2)24(14)31/h9,13-15,19-22,24,28-29,31H,6-8,10-12H2,1-5H3/b17-9+/t14-,15+,19+,20+,21-,22-,24-/m0/s1 |
SMILES | C[C@H]1CCC[C@@H]2[C@@H](O2)C[C@H](/C(=C/C3=CSC(=N3)C)/COC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)O |
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 |