Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028459
PROPERTIES
| NPAID | NPA028459 |
|---|---|
| CLUSTER ID | 7432 |
| NODE ID | 5083 |
| NAME | Misakinolide A |
| FORMULA | C74H128O20 |
| MOLECULAR WEIGHT (Da) | 1337.8180 |
| ACCURATE MASS (Da) | 1336.8999 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Entotheonella |
| ORIGIN SPECIES | sp. |
| InChIKey | CNXAVQHYRALFDY-VIPNGKGCSA-N |
| InChI | InChI=1S/C74H128O20/c1-41(25-29-59-35-61(85-13)31-45(5)89-59)69(81)51(11)71-49(9)65(79)39-63(77)47(7)67(87-15)37-57-21-18-20-56(92-57)34-54(76)28-24-44(4)74(84)94-72(52(12)70(82)42(2)26-30-60-36-62(86-14)32-46(6)90-60)50(10)66(80)40-64(78)48(8)68(88-16)38-58-22-17-19-55(91-58)33-53(75)27-23-43(3)73(83)93-71/h17-20,23-24,41-42,45-72,75-82H,21-22,25-40H2,1-16H3/b43-23+,44-24+/t41-,42-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61+,62+,63-,64-,65+,66+,67-,68-,69-,70-,71-,72-/m0/s1 |
| SMILES | CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](O)C/C=C(\C)C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@H]3C[C@H](OC)C[C@H](C)O3)[C@@H](C)[C@H](O)C[C@H](O)[C@H](C)[C@@H](OC)C[C@@H]3CC=C[C@@H](C[C@@H](O)C/C=C(\C)C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@H]4C[C@H](OC)C[C@H](C)O4)[C@@H](C)[C@H](O)C[C@H](O)[C@@H]1C)O3)O2 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Mori, Tetsushi; Cahn, Jackson K. B.; Wilson, Micheal C.; Meoded, Roy A.; Wiebach, Vincent; Martinez, Ana Flávia Canovas; Helfrich, Eric J. N.; Albersmeier, Andreas; Wibberg, Daniel; Dätwyler, Steven; Keren, Ray; Lavy, Adi; Rückert, Christian; Ilan, Micha; Kalinowski, Jörn; Matsunaga, Shigeki; Takeyama, Haruko; Piel, Jörn Single-bacterial genomics validates rich and varied specialized metabolism of uncultivated Entotheonella sponge symbionts Proceedings of the National Academy of Sciences of the United States of America 2018 115 (8) 1718-1723. | ||
|---|---|---|---|
| DOI | 10.1073/pnas.1715496115 | PMID | 29439203 |
