Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577844 | Gold | 3 |
COMPOUND NPA002110
PROPERTIES
| NPAID | NPA002110 |
|---|---|
| CLUSTER ID | 352 |
| NODE ID | 317 |
| NAME | Malevamide B |
| FORMULA | C76H124N12O14 |
| MOLECULAR WEIGHT (Da) | 1429.8980 |
| ACCURATE MASS (Da) | 1428.9360 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Symploca |
| ORIGIN SPECIES | laete-viridis |
| InChIKey | IJCFPNODXKAIPP-DBABXTLQSA-N |
| InChI | InChI=1S/C76H124N12O14/c1-24-32-52-49(16)76(101)102-63(47(13)14)75(100)80(18)50(17)64(89)78-57(42(3)4)70(95)84(22)60(44(7)8)72(97)85(23)62(46(11)12)74(99)88-40-31-37-55(88)68(93)82(20)59(43(5)6)66(91)79-58(48(15)25-2)71(96)86-38-29-36-54(86)69(94)83(21)61(45(9)10)73(98)87-39-30-35-53(87)67(92)81(19)56(65(90)77-52)41-51-33-27-26-28-34-51/h26-28,33-34,42-50,52-63H,24-25,29-32,35-41H2,1-23H3,(H,77,90)(H,78,89)(H,79,91)/t48-,49?,50-,52?,53-,54-,55-,56-,57-,58-,59?,60?,61?,62?,63+/m0/s1 |
| SMILES | CCCC1C(C(=O)O[C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N(C(C(=O)N(C(C(=O)N2CCC[C@H]2C(=O)N(C(C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N(C(C(=O)N4CCC[C@H]4C(=O)N([C@H](C(=O)N1)CC5=CC=CC=C5)C)C(C)C)C)[C@@H](C)CC)C(C)C)C)C(C)C)C)C(C)C)C)C(C)C)C)C)C(C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Horgen, F. David; Yoshida, Wesley Y.; Scheuer, Paul J. Malevamides A-C, new depsipeptides from the marine cyanobacterium Symploca laete-viridis Journal of Natural Products 2000 63 (4) 461-467. | ||
|---|---|---|---|
| DOI | 10.1021/np990449+ | PMID | 10785414 |
