Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA029932
PROPERTIES
| NPAID | NPA029932 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Kailuin H |
| FORMULA | C39H71N5O9 |
| MOLECULAR WEIGHT (Da) | 754.0230 |
| ACCURATE MASS (Da) | 753.5252 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Photobacterium |
| ORIGIN SPECIES | halotolerans |
| InChIKey | XHHJAKOHAZAXSJ-MXFSQUAJSA-N |
| InChI | InChI=1S/C39H71N5O9/c1-10-26(8)33-39(52)53-28(18-16-14-12-11-13-15-17-23(2)3)21-32(47)40-29(19-24(4)5)35(48)42-31(22-45)37(50)44-34(27(9)46)38(51)41-30(20-25(6)7)36(49)43-33/h23-31,33-34,45-46H,10-22H2,1-9H3,(H,40,47)(H,41,51)(H,42,48)(H,43,49)(H,44,50)/t26-,27+,28+,29+,30+,31-,33-,34-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)C[C@@H](CCCCCCCCC(C)C)OC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Theodore, CM; Lorig-Roach, N; Still, PC; Johnson, TA; Drašković, M; Schwochert, JA; Naphen, CN; Crews, MS; Barker, SA; Valeriote, FA; Lokey, RS; Crews, P Biosynthetic products from a nearshore-derived gram-negative bacterium enable reassessment of the kailuin depsipeptides. Journal of Natural Products 2015 78 (3) 441-452. | ||
|---|---|---|---|
| DOI | 10.1021/np500840n | PMID | 25699470 |
