Compounds
COMPOUND NPA004246
PROPERTIES
| NPAID | NPA004246 |
|---|---|
| CLUSTER ID | 2233 |
| NODE ID | 1772 |
| NAME | Ent-α-Cyperone |
| FORMULA | C15H22O |
| MOLECULAR WEIGHT (Da) | 218.3400 |
| ACCURATE MASS (Da) | 218.1671 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Ascochyta |
| ORIGIN SPECIES | sp. strain 6651 |
| InChIKey | KUFXJZXMWHNCEH-SWLSCSKDSA-N |
| InChI | InChI=1S/C15H22O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12H,1,5-9H2,2-4H3/t12-,15+/m0/s1 |
| SMILES | CC1=C2C[C@H](CC[C@@]2(CCC1=O)C)C(=C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Krohn, Karsten; Kock, Ines; Elsässer, Brigitta; Flörke, Ulrich; Schulz, Barbara; Draeger, Siegfried; Pescitelli, Gennaro; Antus, Sándor; Kurtán, Tibor Bioactive Natural Products from the Endophytic Fungus Ascochyta sp. from Meliotus dentatus-Configurational Assignment by Solid-State CD and TDDFT Calculations European Journal of Organic Chemistry 2007 2007 (7) 1123-1129. | ||
|---|---|---|---|
| DOI | 10.1002/ejoc.200600907 | PMID | 25855820 |
