Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00006710028 | Gold | 3 |
| CCMSLIB00006710029 | Gold | 3 |
COMPOUND NPA002859
PROPERTIES
| NPAID | NPA002859 |
|---|---|
| CLUSTER ID | 149 |
| NODE ID | 141 |
| NAME | Ngercheumicin I |
| FORMULA | C45H82N6O11 |
| MOLECULAR WEIGHT (Da) | 883.1820 |
| ACCURATE MASS (Da) | 882.6042 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Photobacterium |
| ORIGIN SPECIES | sp. |
| InChIKey | KCWYZDWFWWWFPP-UHXNFSLZSA-N |
| InChI | InChI=1S/C45H82N6O11/c1-10-11-12-13-14-15-16-17-18-19-20-21-32(54)25-37(55)46-33(22-27(2)3)41(57)51-39-31(9)62-45(61)35(24-29(6)7)48-40(56)34(23-28(4)5)47-43(59)38(30(8)53)50-42(58)36(26-52)49-44(39)60/h27-36,38-39,52-54H,10-26H2,1-9H3,(H,46,55)(H,47,59)(H,48,56)(H,49,60)(H,50,58)(H,51,57)/t30-,31-,32?,33?,34?,35?,36+,38-,39-/m0/s1 |
| SMILES | CCCCCCCCCCCCCC(CC(=O)NC(CC(C)C)C(=O)N[C@H]1[C@@H](OC(=O)C(NC(=O)C(NC(=O)[C@@H](NC(=O)[C@H](NC1=O)CO)[C@H](C)O)CC(C)C)CC(C)C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kjaerulff, Louise; Nielsen, Anita; Mansson, Maria; Gram, Lone; Larsen, Thomas O.; Ingmer, Hanne; Gotfredsen, Charlotte H. Identification of four new agr quorum sensing-interfering cyclodepsipeptides from a marine Photobacterium Marine Drugs 2013 11 (12) 5051-5062. | ||
|---|---|---|---|
| DOI | 10.3390/md11125051 | PMID | 24351904 |
