Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025604
PROPERTIES
| NPAID | NPA025604 |
|---|---|
| CLUSTER ID | 7732 |
| NODE ID | 5272 |
| NAME | Rhabdoplanin A |
| FORMULA | C45H51N5O7 |
| MOLECULAR WEIGHT (Da) | 773.9310 |
| ACCURATE MASS (Da) | 773.3788 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Xenorhabdus |
| ORIGIN SPECIES | bovienii |
| InChIKey | CZCBGVSDAAGXFI-GYHVRWMKSA-N |
| InChI | InChI=1S/C45H51N5O7/c1-29-40(48-30(2)51)41(52)42(53)45(56-29)57-35-20-18-32(19-21-35)23-25-47-44(55)38(27-34-28-50(3)39-17-11-10-16-36(34)39)49-37(26-33-14-8-5-9-15-33)43(54)46-24-22-31-12-6-4-7-13-31/h4-21,23,25,28-29,37-38,40-42,45,49,52-53H,22,24,26-27H2,1-3H3,(H,46,54)(H,47,55)(H,48,51)/t29-,37-,38+,40+,41+,42-,45+/m1/s1 |
| SMILES | CC(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@H](OC2=CC=C(C=CNC(=O)[C@H](CC3=CN(C)C4=CC=CC=C34)N[C@H](CC3=CC=CC=C3)C(=O)NCCC3=CC=CC=C3)C=C2)O[C@@H]1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Oh, Joonseok; Kim, Nam Y.; Chen, Haiwei; Palm, Noah W.; Crawford, Jason M. An Ugi-like Biosynthetic Pathway Encodes Bombesin Receptor Subtype-3 Agonists Journal of the American Chemical Society 2019 141 (41) 16271-16278. | ||
|---|---|---|---|
| DOI | 10.1021/jacs.9b04183 | PMID | 31537063 |
