Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000001605 | Gold | 1!CCMSLIB00000001608 |
COMPOUND NPA009858
PROPERTIES
| NPAID | NPA009858 |
|---|---|
| CLUSTER ID | 694 |
| NODE ID | 612 |
| NAME | Apratoxin B |
| FORMULA | C44H67N5O8S |
| MOLECULAR WEIGHT (Da) | 826.1140 |
| ACCURATE MASS (Da) | 825.4710 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lyngbya |
| ORIGIN SPECIES | sp. |
| InChIKey | ZSYPDXOLYNZQGO-CSWQYCJFSA-N |
| InChI | InChI=1S/C44H67N5O8S/c1-12-26(3)37-42(54)49-19-13-14-34(49)43(55)57-36(44(7,8)9)21-25(2)20-35(50)28(5)40-45-31(24-58-40)22-27(4)38(51)46-33(23-30-15-17-32(56-11)18-16-30)41(53)48(10)29(6)39(52)47-37/h15-18,22,25-26,28-29,31,33-37,50H,12-14,19-21,23-24H2,1-11H3,(H,46,51)(H,47,52)/b27-22-/t25-,26-,28-,29-,31-,33-,34?,35-,36-,37-/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)N2CCCC2C(=O)O[C@@H](C[C@H](C[C@@H]([C@@H](C3=N[C@H](CS3)/C=C(\C(=O)N[C@H](C(=O)N([C@H](C(=O)N1)C)C)CC4=CC=C(C=C4)OC)/C)C)O)C)C(C)(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Luesch, Hendrik; Yoshida, Wesley Y; Moore, Richard E; Paul, Valerie J New apratoxins of marine cyanobacterial origin from Guam and Palau Bioorganic and Medicinal Chemistry 2002 10 (6) 1973-1978. | ||
|---|---|---|---|
| DOI | 10.1016/s0968-0896(02)00014-7 | PMID | 11937357 |
