Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000743
PROPERTIES
| NPAID | NPA000743 |
|---|---|
| CLUSTER ID | 533 |
| NODE ID | 475 |
| NAME | Violaceoid E |
| FORMULA | C14H22O4 |
| MOLECULAR WEIGHT (Da) | 254.3260 |
| ACCURATE MASS (Da) | 254.1518 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | violaceofuscus |
| InChIKey | STNLGQLIXQWBJR-UONOGXRCSA-N |
| InChI | InChI=1S/C14H22O4/c1-2-3-4-5-6-7-10-11(9-15)12(16)8-13(17)14(10)18/h6-7,13-15,17-18H,2-5,8-9H2,1H3/t13-,14+/m0/s1 |
| SMILES | CCCCCC=CC1=C(C(=O)C[C@@H]([C@@H]1O)O)CO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Myobatake, Yusuke; Takemoto, Kenji; Kamisuki, Shinji; Inoue, Natsuki; Takasaki, Ayato; Takeuchi, Toshifumi; Mizushina, Yoshiyuki; Sugawara, Fumio Cytotoxic alkylated hydroquinone, phenol, and cyclohexenone derivatives from aspergillus violaceofuscus Gasperini Journal of Natural Products 2014 77 (5) 1236-1240. | ||
|---|---|---|---|
| DOI | 10.1021/np401017g | PMID | 24786915 |
