Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001498
PROPERTIES
| NPAID | NPA001498 |
|---|---|
| CLUSTER ID | 55 |
| NODE ID | 51 |
| NAME | BCA 10 |
| FORMULA | C22H34O5 |
| MOLECULAR WEIGHT (Da) | 378.5090 |
| ACCURATE MASS (Da) | 378.2406 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Alternaria |
| ORIGIN SPECIES | alternata |
| InChIKey | LXUOZANJRFPUKV-MKMNVTDBSA-N |
| InChI | InChI=1S/C22H34O5/c1-14(13-23)6-5-7-15(2)16-10-11-22(3,26)18(16)12-17-19(24)8-9-20(27-4)21(17)25/h6,10,15,18,20,23,25-26H,5,7-9,11-13H2,1-4H3/b14-6+ |
| SMILES | CC(CC/C=C(\C)/CO)C1=CCC(C1CC2=C(C(CCC2=O)OC)O)(C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Liebermann, Bernd; Nussbaum, Ralph-Peter; Guenther, Wolfgang Bicycloalternarenes produced by the phytopathogenic fungus Alternaria alternata Phytochemistry 2000 55 (8) 987-992. | ||
|---|---|---|---|
| DOI | 10.1016/s0031-9422(00)00268-5 | PMID | - |
