Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032831
PROPERTIES
| NPAID | NPA032831 |
|---|---|
| CLUSTER ID | 9486 |
| NODE ID | 141 |
| NAME | Variobactin B |
| FORMULA | C45H79N11O17 |
| MOLECULAR WEIGHT (Da) | 1046.1870 |
| ACCURATE MASS (Da) | 1045.5655 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Variovorax |
| ORIGIN SPECIES | paradoxus S110 |
| InChIKey | VZLKLSFDPFHEHA-UHFFFAOYSA-N |
| InChI | InChI=1S/C45H79N11O17/c1-5-6-7-8-9-10-11-20-34(60)49-29(18-14-23-55(71)27(3)58)37-26(2)38(62)54-35(36(61)43(67)68)42(66)53-33(25-57)41(65)51-30(16-12-21-46)39(63)50-31(17-13-22-48-45(47)70)40(64)52-32(44(69)73-37)19-15-24-56(72)28(4)59/h26,29-33,35-37,57,61,71-72H,5-25,46H2,1-4H3,(H,49,60)(H,50,63)(H,51,65)(H,52,64)(H,53,66)(H,54,62)(H,67,68)(H3,47,48,70) |
| SMILES | CCCCCCCCCC(=O)NC(CCCN(O)C(C)=O)C1OC(=O)C(CCCN(O)C(C)=O)NC(=O)C(CCCNC(N)=O)NC(=O)C(CCCN)NC(=O)C(CO)NC(=O)C(C(O)C(=O)O)NC(=O)C1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Johnston, Chad W.; Skinnider, Michael A.; Wyatt, Morgan A.; Li, Xiang; Ranieri, Michael R. M.; Yang, Lian; Zechel, David L.; Ma, Bin; Magarvey, Nathan A. An automated Genomes-to-Natural Products platform (GNP) for the discovery of modular natural products Nature Communications 2015 6 (None) None. | ||
|---|---|---|---|
| DOI | 10.1038/ncomms9421 | PMID | 26412281 |
