Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009223
PROPERTIES
| NPAID | NPA009223 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Bacillomycin D methyl ester |
| FORMULA | C50H78N10O15 |
| MOLECULAR WEIGHT (Da) | 1059.2290 |
| ACCURATE MASS (Da) | 1058.5648 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | subtilis KMM 457 |
| InChIKey | KPCSNZFMYNUTLT-UHFFFAOYSA-N |
| InChI | InChI=1S/C50H78N10O15/c1-4-5-6-7-8-9-10-11-12-13-15-31-25-41(66)54-35(26-39(51)64)46(70)56-34(24-30-17-19-32(63)20-18-30)45(69)57-36(27-40(52)65)50(74)60-23-14-16-38(60)48(72)55-33(21-22-42(67)75-3)44(68)58-37(28-61)47(71)59-43(29(2)62)49(73)53-31/h17-20,29,31,33-38,43,61-63H,4-16,21-28H2,1-3H3,(H2,51,64)(H2,52,65)(H,53,73)(H,54,66)(H,55,72)(H,56,70)(H,57,69)(H,58,68)(H,59,71) |
| SMILES | CCCCCCCCCCCCC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)O)CO)CCC(=O)OC)CC(=O)N)CC3=CC=C(C=C3)O)CC(=O)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Oleinikova, G. K.; Myastovskaya, Yu. P.; Denisenko, V. A.; Shevchenko, L. S.; Kuznetsova, T. A. Methyl Ester of Bacillomycin D from the Marine Isolate of Bacillus subtilis KMM 457 Chemistry of Natural Compounds 2003 39 (6) 609-610. | ||
|---|---|---|---|
| DOI | 10.1023/b:conc.0000018125.97867.ca | PMID | - |
