Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001575
PROPERTIES
| NPAID | NPA001575 |
|---|---|
| CLUSTER ID | 1020 |
| NODE ID | 879 |
| NAME | Ambewelamide B |
| FORMULA | C26H28N2O8S2 |
| MOLECULAR WEIGHT (Da) | 560.6500 |
| ACCURATE MASS (Da) | 560.1287 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Usnea |
| ORIGIN SPECIES | sp. |
| InChIKey | RKEDAZXFFYMOPX-KGXXLAPYSA-N |
| InChI | InChI=1S/C26H28N2O8S2/c1-3-4-5-6-16(30)34-15-8-13-10-26-24(32)27-17-12(7-14(33-11(2)29)19-21(17)35-19)9-25(27,37-38-26)23(31)28(26)18(13)22-20(15)36-22/h7-8,14-15,17-22H,3-6,9-10H2,1-2H3/t14-,15-,17-,18-,19-,20-,21+,22+,25+,26+/m0/s1 |
| SMILES | CCCCCC(=O)O[C@H]1C=C2C[C@@]34C(=O)N5[C@@H]6[C@@H]7[C@@H](O7)[C@H](C=C6C[C@]5(C(=O)N3[C@@H]2[C@@H]8[C@H]1O8)SS4)OC(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Williams, David E.; Bombuwala, Karunananda; Lobkovsky, Emil; De Silva, E. Dilip; Karunaratne, Veranja; Allen, Theresa M.; Clardy, Jon; Andersen, Raymond J. Ambewelamides A and B, antineoplastic epidithiapiperazinediones isolated from the lichen Usnea sp Tetrahedron Letters 1998 39 (52) 9579-9582. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4039(98)02277-1 | PMID | - |
