Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014414
PROPERTIES
| NPAID | NPA014414 |
|---|---|
| CLUSTER ID | 3462 |
| NODE ID | 141 |
| NAME | Burkholidine 1215 |
| FORMULA | C52H85N11O22 |
| MOLECULAR WEIGHT (Da) | 1216.3070 |
| ACCURATE MASS (Da) | 1215.5871 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Burkholderia |
| ORIGIN SPECIES | ambifaria |
| InChIKey | ARGJHMFHVZLKHE-YXCBPLLZSA-N |
| InChI | InChI=1S/C52H85N11O22/c1-2-3-4-5-6-7-8-9-10-11-34(85-52-44(76)42(74)33(68)24-84-52)41(73)32(67)18-26-19-36(70)59-30(22-64)48(80)62-38(40(72)25-12-14-27(66)15-13-25)51(83)60-28(16-17-53)46(78)56-21-37(71)58-29(20-35(54)69)47(79)61-31(23-65)49(81)63-39(50(82)57-26)43(75)45(55)77/h12-15,26,28-34,38-44,52,64-68,72-76H,2-11,16-24,53H2,1H3,(H2,54,69)(H2,55,77)(H,56,78)(H,57,82)(H,58,71)(H,59,70)(H,60,83)(H,61,79)(H,62,80)(H,63,81)/t26-,28-,29+,30-,31+,32-,33-,34+,38-,39+,40-,41-,42+,43+,44-,52+/m1/s1 |
| SMILES | CCCCCCCCCCC[C@@H]([C@@H]([C@@H](C[C@@H]1CC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)[C@@H](C(=O)N)O)CO)CC(=O)N)CCN)[C@@H](C2=CC=C(C=C2)O)O)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Lin, Zhenjian; Falkinham, Joseph O.; Tawfik, Kamilia A.; Jeffs, Peter; Bray, Brian; Dubay, George; Cox, James E.; Schmidt, Eric W. Burkholdines from Burkholderia ambifaria: Antifungal Agents and Possible Virulence Factors Journal of Natural Products 2012 75 (9) 1518-1523. | ||
|---|---|---|---|
| DOI | 10.1021/np300108u | PMID | 22988812 |
