Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007638
PROPERTIES
| NPAID | NPA007638 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Anteiso-C17 bacillomycin D |
| FORMULA | C51H80N10O15 |
| MOLECULAR WEIGHT (Da) | 1073.2560 |
| ACCURATE MASS (Da) | 1072.5805 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | amyloliquefaciens SD-32 |
| InChIKey | ZUUBJNJPFAIYLD-QIPBMDSUSA-N |
| InChI | InChI=1S/C51H80N10O15/c1-4-29(2)14-11-9-7-5-6-8-10-12-15-32-25-42(67)55-36(26-40(52)65)47(72)57-35(24-31-17-19-33(64)20-18-31)46(71)58-37(27-41(53)66)51(76)61-23-13-16-39(61)49(74)56-34(21-22-43(68)69)45(70)59-38(28-62)48(73)60-44(30(3)63)50(75)54-32/h17-20,29-30,32,34-39,44,62-64H,4-16,21-28H2,1-3H3,(H2,52,65)(H2,53,66)(H,54,75)(H,55,67)(H,56,74)(H,57,72)(H,58,71)(H,59,70)(H,60,73)(H,68,69)/t29?,30?,32-,34+,35-,36+,37-,38-,39+,44+/m1/s1 |
| SMILES | CCC(C)CCCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)C(C)O)CO)CCC(=O)O)CC(=O)N)CC3=CC=C(C=C3)O)CC(=O)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Tanaka, Keijitsu; Ishihara, Atsushi; Nakajima, Hiromitsu Isolation of anteiso -C17, iso -C17, iso -C 16, and iso -C15 bacillomycin D from Bacillus amyloliquefaciens SD-32 and their antifungal activities against plant pathogens Journal of Agricultural and Food Chemistry 2014 62 (7) 1469-1476. | ||
|---|---|---|---|
| DOI | 10.1021/jf404531t | PMID | 24548079 |
