Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032830
PROPERTIES
| NPAID | NPA032830 |
|---|---|
| CLUSTER ID | 9486 |
| NODE ID | 141 |
| NAME | Variobactin A |
| FORMULA | C47H83N11O17 |
| MOLECULAR WEIGHT (Da) | 1074.2410 |
| ACCURATE MASS (Da) | 1073.5968 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Variovorax |
| ORIGIN SPECIES | paradoxus S110 |
| InChIKey | PQVAQGMYHVAPQH-UHFFFAOYSA-N |
| InChI | InChI=1S/C47H83N11O17/c1-5-6-7-8-9-10-11-12-13-22-36(62)51-31(20-16-25-57(73)29(3)60)39-28(2)40(64)56-37(38(63)45(69)70)44(68)55-35(27-59)43(67)53-32(18-14-23-48)41(65)52-33(19-15-24-50-47(49)72)42(66)54-34(46(71)75-39)21-17-26-58(74)30(4)61/h28,31-35,37-39,59,63,73-74H,5-27,48H2,1-4H3,(H,51,62)(H,52,65)(H,53,67)(H,54,66)(H,55,68)(H,56,64)(H,69,70)(H3,49,50,72) |
| SMILES | CCCCCCCCCCCC(=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 |
