Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021058
PROPERTIES
| NPAID | NPA021058 |
|---|---|
| CLUSTER ID | 2703 |
| NODE ID | 2091 |
| NAME | Herbicolin B |
| FORMULA | C52H91N13O15 |
| MOLECULAR WEIGHT (Da) | 1138.3760 |
| ACCURATE MASS (Da) | 1137.6758 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Erwinia |
| ORIGIN SPECIES | herbicola A 111 |
| InChIKey | YFNLBROYERMWJP-LBJPEIRXSA-N |
| InChI | InChI=1S/C52H91N13O15/c1-9-11-12-13-14-15-16-17-18-20-33(68)26-39(70)59-34(10-2)47(75)64-43-32(7)80-51(79)36(21-19-24-56-52(54)55)61-50(78)44(31(6)67)65(8)41(72)28-58-45(73)35(22-23-38(53)69)60-40(71)27-57-46(74)37(25-29(3)4)62-48(76)42(30(5)66)63-49(43)77/h10,29-33,35-37,42-44,66-68H,9,11-28H2,1-8H3,(H2,53,69)(H,57,74)(H,58,73)(H,59,70)(H,60,71)(H,61,78)(H,62,76)(H,63,77)(H,64,75)(H4,54,55,56)/b34-10-/t30-,31+,32-,33-,35+,36-,37+,42-,43-,44+/m1/s1 |
| SMILES | CCCCCCCCCCC[C@H](CC(=O)N/C(=C\C)/C(=O)N[C@@H]1[C@H](OC(=O)[C@H](NC(=O)[C@@H](N(C(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC1=O)[C@@H](C)O)CC(C)C)CCC(=O)N)C)[C@H](C)O)CCCN=C(N)N)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Winkelmann G; Lupp R; Jung G HERBICOLINS-NEW PEPTIDE ANTIBIOTICS FROM ERWINIA HERBICOLA Journal of Antibiotics 1980 33 (4) 353-358. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.33.353 | PMID | 7410203 |
