Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005746134 | Gold | 3 |
COMPOUND NPA034841
PROPERTIES
| NPAID | NPA034841 |
|---|---|
| CLUSTER ID | 9995 |
| NODE ID | 6673 |
| NAME | 13-oxo-trans-9,10-epoxy-11(E)-octadecenoic acid |
| FORMULA | C18H30O4 |
| MOLECULAR WEIGHT (Da) | 310.4340 |
| ACCURATE MASS (Da) | 310.2144 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Clonostachys |
| ORIGIN SPECIES | rosea |
| InChIKey | BJIKXWWZEPAKQC-BUHFOSPRSA-N |
| InChI | InChI=1S/C18H30O4/c1-2-3-7-10-15(19)13-14-17-16(22-17)11-8-5-4-6-9-12-18(20)21/h13-14,16-17H,2-12H2,1H3,(H,20,21)/b14-13+ |
| SMILES | CCCCCC(=O)/C=C/C1OC1CCCCCCCC(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kim, Chang-Kwon; Krumpe, Lauren R H; Smith, Emily; Henrich, Curtis J; Brownell, Isaac; Wendt, Karen L; Cichewicz, Robert H; O'Keefe, Barry R; Gustafson, Kirk R Roseabol A, a New Peptaibol from the Fungus Clonostachys rosea. Molecules 2021 26 (12) None. | ||
|---|---|---|---|
| DOI | 10.3390/molecules26123594 | PMID | 34208349 |
