Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000848646 | Gold | 1!CCMSLIB00000848647 |
| CCMSLIB00005721419 | Gold | 3 |
COMPOUND NPA011299
PROPERTIES
| NPAID | NPA011299 |
|---|---|
| CLUSTER ID | 1359 |
| NODE ID | 1142 |
| NAME | 7-deacetoxyyanuthone |
| FORMULA | C22H32O3 |
| MOLECULAR WEIGHT (Da) | 344.4950 |
| ACCURATE MASS (Da) | 344.2351 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | sp. |
| InChIKey | DKOXVDVXOYHFHV-ITGDQCKOSA-N |
| InChI | InChI=1S/C22H32O3/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-22-19(23)14-18(5)20(24)21(22)25-22/h8,10,12,14,20-21,24H,6-7,9,11,13H2,1-5H3/b16-10+,17-12+/t20-,21-,22+/m1/s1 |
| SMILES | CC1=CC(=O)[C@]2([C@@H]([C@@H]1O)O2)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Li, Xifeng; Choi, Hong Dae; Kang, Jung Sook; Lee, Chong-O.; Son, Byeng Wha New Polyoxygenated Farnesylcyclohexenones, Deacetoxyyanuthone A and Its Hydro Derivative from the Marine-Derived Fungus Penicillium sp Journal of Natural Products 2003 66 (11) 1499-1500. | ||
|---|---|---|---|
| DOI | 10.1021/np030231u | PMID | 14640527 |
