Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000427303 | Gold | 1 |
COMPOUND NPA024814
PROPERTIES
| NPAID | NPA024814 |
|---|---|
| CLUSTER ID | 7595 |
| NODE ID | 5202 |
| NAME | Pellasoren A |
| FORMULA | C26H41NO4 |
| MOLECULAR WEIGHT (Da) | 431.6170 |
| ACCURATE MASS (Da) | 431.3036 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Sorangium |
| ORIGIN SPECIES | cellulosum So ce38 |
| InChIKey | KJDLCCSAVYUQIT-NGFBJTOHSA-N |
| InChI | InChI=1S/C26H41NO4/c1-9-11-23(30-8)25(28)27-22(7)15-18(3)14-17(2)12-10-13-19(4)24-20(5)16-21(6)26(29)31-24/h10-12,14-15,19-22,24H,9,13,16H2,1-8H3,(H,27,28)/b12-10+,17-14+,18-15+,23-11-/t19-,20-,21+,22-,24+/m0/s1 |
| SMILES | CC/C=C(/C(=O)N[C@@H](C)/C=C(\C)/C=C(\C)/C=C/C[C@H](C)[C@@H]1[C@H](C[C@H](C(=O)O1)C)C)\OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Jahns C; Hoffmann T; Müller S; Gerth K; Washausen P; Höfle G; Reichenbach H; Kalesse M; Müller R Pellasoren: structure elucidation, biosynthesis, and total synthesis of a cytotoxic secondary metabolite from Sorangium cellulosum. Angewandte Chemie International Edition 2012 51 (21) 5239-5243. | ||
|---|---|---|---|
| DOI | 10.1002/anie.201200327 | PMID | 22488911 |
