Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000001792 | Gold | 1!CCMSLIB00000001793 |
COMPOUND NPA007715
PROPERTIES
| NPAID | NPA007715 |
|---|---|
| CLUSTER ID | 694 |
| NODE ID | 612 |
| NAME | Apratoxin G |
| FORMULA | C43H67N5O8S |
| MOLECULAR WEIGHT (Da) | 814.1030 |
| ACCURATE MASS (Da) | 813.4710 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lyngbya |
| ORIGIN SPECIES | bouillonii PAL08–16 |
| InChIKey | QYPABEUQMXOENV-NMOSBCMXSA-N |
| InChI | InChI=1S/C43H67N5O8S/c1-24(2)36-41(53)47(12)29(7)42(54)56-35(43(8,9)10)20-25(3)19-34(49)27(5)38-44-31(23-57-38)21-26(4)37(50)45-33(22-30-15-17-32(55-14)18-16-30)40(52)46(11)28(6)39(51)48(36)13/h15-18,21,24-25,27-29,31,33-36,49H,19-20,22-23H2,1-14H3,(H,45,50)/b26-21-/t25-,27-,28-,29-,31?,33-,34-,35-,36-/m0/s1 |
| SMILES | C[C@H]1C[C@@H]([C@@H](C2=NC(CS2)/C=C(\C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)O[C@@H](C1)C(C)(C)C)C)C)C(C)C)C)C)C)CC3=CC=C(C=C3)OC)/C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Tidgewell, Kevin; Engene, Niclas; Byrum, Tara; Media, Joseph; Doi, Takayuki; Valeriote, Fred A; Gerwick, William H Evolved diversification of a modular natural product pathway: apratoxins F and G, two cytotoxic cyclic depsipeptides from a Palmyra collection of Lyngbya bouillonii ChemBioChem 2010 11 (10) 1458-1466. | ||
|---|---|---|---|
| DOI | 10.1002/cbic.201000070 | PMID | 20512792 |
