Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020811
PROPERTIES
| NPAID | NPA020811 |
|---|---|
| CLUSTER ID | 298 |
| NODE ID | 270 |
| NAME | Oligomycin E |
| FORMULA | C45H72O13 |
| MOLECULAR WEIGHT (Da) | 821.0580 |
| ACCURATE MASS (Da) | 820.4973 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. MCI-2225 |
| InChIKey | UWEZMQMMPORRMH-XBUZHXRVSA-N |
| InChI | InChI=1S/C45H72O13/c1-12-32-17-15-13-14-16-25(3)40(52)43(10,54)41(53)31(9)39(51)30(8)38(50)29(7)37(49)24(2)18-21-36(48)56-42-28(6)33(20-19-32)57-45(44(42,11)55)35(47)22-26(4)34(58-45)23-27(5)46/h13-15,17-18,21,24-34,37,39-40,42,46,49,51-52,54-55H,12,16,19-20,22-23H2,1-11H3/b14-13-,17-15-,21-18+/t24-,25-,26+,27-,28-,29-,30-,31+,32+,33-,34+,37+,39+,40+,42+,43+,44+,45+/m1/s1 |
| SMILES | CC[C@@H]\1CC[C@@H]2[C@H]([C@@H]([C@]([C@]3(O2)C(=O)C[C@@H]([C@@H](O3)C[C@@H](C)O)C)(C)O)OC(=O)/C=C/[C@H]([C@@H]([C@H](C(=O)[C@H]([C@@H]([C@@H](C(=O)[C@@]([C@H]([C@@H](C/C=C\C=C1)C)O)(C)O)C)O)C)C)O)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kobayashi K; Nishino C; Ohya J; Sato S; Mikawa T; Shiobara Y; Kodama M; Nishimoto N OLIGOMYCIN E, A NEW ANTITUMOR ANTIBIOTIC PRODUCED BY STREPTOMYCES SP. MCI-2225 Journal of Antibiotics 1987 40 (7) 1053-1057. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.40.1053 | PMID | 3624067 |
