Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010835
PROPERTIES
| NPAID | NPA010835 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 26 |
| NAME | C15 bacillomycin D |
| FORMULA | C49H76N10O15 |
| MOLECULAR WEIGHT (Da) | 1045.2020 |
| ACCURATE MASS (Da) | 1044.5492 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | sp. SNA-60-367 |
| InChIKey | LZNAKJSASUOPIN-DHWLUEHJSA-N |
| InChI | InChI=1S/C49H76N10O15/c1-3-4-5-6-7-8-9-10-11-12-14-30-24-40(65)53-34(25-38(50)63)45(70)55-33(23-29-16-18-31(62)19-17-29)44(69)56-35(26-39(51)64)49(74)59-22-13-15-37(59)47(72)54-32(20-21-41(66)67)43(68)57-36(27-60)46(71)58-42(28(2)61)48(73)52-30/h16-19,28,30,32-37,42,60-62H,3-15,20-27H2,1-2H3,(H2,50,63)(H2,51,64)(H,52,73)(H,53,65)(H,54,72)(H,55,70)(H,56,69)(H,57,68)(H,58,71)(H,66,67)/t28-,30?,32+,33-,34+,35-,36-,37+,42+/m1/s1 |
| SMILES | CCCCCCCCCCCCC1CC(=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@@H](C)O)CO)CCC(=O)O)CC(=O)N)CC3=CC=C(C=C3)O)CC(=O)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Moyne, A L; Shelby, R; Cleveland, T E; Tuzun, S Bacillomycin D: an iturin with antifungal activity against Aspergillus flavus Journal of Applied Microbiology 2001 90 (4) 622-629. | ||
|---|---|---|---|
| DOI | 10.1046/j.1365-2672.2001.01290.x | PMID | 11309075 |
