Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000846215 | Gold | 1!CCMSLIB00000846217 |
| CCMSLIB00012134522 | Gold | 4 |
| CCMSLIB00012134523 | Gold | 4 |
| CCMSLIB00012134521 | Gold | 4 |
| CCMSLIB00009974319 | Gold | 4 |
| CCMSLIB00009974320 | Gold | 4 |
| CCMSLIB00009974318 | Gold | 4 |
COMPOUND NPA013888
PROPERTIES
| NPAID | NPA013888 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Iturin A-8 |
| FORMULA | C51H80N12O14 |
| MOLECULAR WEIGHT (Da) | 1085.2710 |
| ACCURATE MASS (Da) | 1084.5917 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | amyloliquefaciens RC-2 |
| InChIKey | SYWSRNVDWIDEAD-KVGPBQSJSA-N |
| InChI | InChI=1S/C51H80N12O14/c1-3-29(2)13-10-8-6-4-5-7-9-11-14-31-24-44(70)57-35(25-41(53)67)46(72)59-34(23-30-16-18-32(65)19-17-30)45(71)60-36(26-42(54)68)47(73)58-33(20-21-40(52)66)51(77)63-22-12-15-39(63)50(76)61-37(27-43(55)69)48(74)62-38(28-64)49(75)56-31/h16-19,29,31,33-39,64-65H,3-15,20-28H2,1-2H3,(H2,52,66)(H2,53,67)(H2,54,68)(H2,55,69)(H,56,75)(H,57,70)(H,58,73)(H,59,72)(H,60,71)(H,61,76)(H,62,74)/t29?,31-,33+,34-,35+,36-,37-,38+,39+/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)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CO)CC(=O)N)CCC(=O)N)CC(=O)N)CC3=CC=C(C=C3)O)CC(=O)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hiradate, Syuntaro; Yoshida, Shigenobu; Sugie, Hajime; Yada, Hiroshi; Fujii, Yoshiharu Mulberry anthracnose antagonists (iturins) produced by Bacillus amyloliquefaciens RC-2 Phytochemistry 2002 61 (6) 693-698. | ||
|---|---|---|---|
| DOI | 10.1016/s0031-9422(02)00365-5 | PMID | - |
