Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000071762 | Gold | 3 |
COMPOUND NPA013804
PROPERTIES
| NPAID | NPA013804 |
|---|---|
| CLUSTER ID | 415 |
| NODE ID | 374 |
| NAME | Ferintoic acid B |
| FORMULA | C47H60N8O9 |
| MOLECULAR WEIGHT (Da) | 881.0440 |
| ACCURATE MASS (Da) | 880.4483 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa |
| InChIKey | RZGOIGKRVXBOMH-KTJCIETHSA-N |
| InChI | InChI=1S/C47H60N8O9/c1-5-28(2)40-44(60)50-37(23-20-30-18-21-33(56)22-19-30)45(61)55(4)29(3)41(57)51-38(25-31-13-7-6-8-14-31)42(58)48-24-12-11-17-36(43(59)54-40)52-47(64)53-39(46(62)63)26-32-27-49-35-16-10-9-15-34(32)35/h6-10,13-16,18-19,21-22,27-29,36-40,49,56H,5,11-12,17,20,23-26H2,1-4H3,(H,48,58)(H,50,60)(H,51,57)(H,54,59)(H,62,63)(H2,52,53,64)/t28?,29-,36+,37-,38-,39?,40-/m0/s1 |
| SMILES | CCC(C)[C@H]1C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)NCCCC[C@H](C(=O)N1)NC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)CC4=CC=CC=C4)C)C)CCC5=CC=C(C=C5)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Williams, David E.; Craig, Marcia; Holmes, Charles F. B.; Andersen, Raymond J. Ferintoic Acids A and B, New Cyclic Hexapeptides from the Freshwater Cyanobacterium Microcystis aeruginosa Journal of Natural Products 1996 59 (6) 570-575. | ||
|---|---|---|---|
| DOI | 10.1021/np960108l | PMID | - |
