Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000001683 | Gold | 1!CCMSLIB00000072503 |
COMPOUND NPA019016
PROPERTIES
| NPAID | NPA019016 |
|---|---|
| CLUSTER ID | 6170 |
| NODE ID | 1854 |
| NAME | Bouillonamide A |
| FORMULA | C46H67N5O8 |
| MOLECULAR WEIGHT (Da) | 818.0690 |
| ACCURATE MASS (Da) | 817.4990 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Moorea |
| ORIGIN SPECIES | bouillonii |
| InChIKey | LJNGIVUAMWQJIA-WDZYBAFLSA-N |
| InChI | InChI=1S/C46H67N5O8/c1-11-36-26-31(4)27-39(53)48(7)25-19-18-20-32(5)42(54)47-40(30(2)3)44(56)49(8)37(28-34-21-14-12-15-22-34)43(55)51(10)41(33(6)52)45(57)50(9)38(46(58)59-36)29-35-23-16-13-17-24-35/h12-17,19,21-25,30-33,36-38,40-41,52H,11,18,20,26-29H2,1-10H3,(H,47,54)/t31?,32?,33?,36?,37-,38-,40-,41-/m0/s1 |
| SMILES | CCC1CC(CC(=O)N(C=CCCC(C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)O1)CC2=CC=CC=C2)C)C(C)O)C)CC3=CC=CC=C3)C)C(C)C)C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Tan, Lik Tong; Okino, Tatsufumi; Gerwick, William H. Bouillonamide: A mixed polyketide-peptide cytotoxin from the marine cyanobacterium moorea bouillonii Marine Drugs 2013 11 (8) 3015-3024. | ||
|---|---|---|---|
| DOI | 10.3390/md11083015 | PMID | 23966034 |
