Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021477
PROPERTIES
| NPAID | NPA021477 |
|---|---|
| CLUSTER ID | 1957 |
| NODE ID | 1571 |
| NAME | Emefuran B1 |
| FORMULA | C21H30O4 |
| MOLECULAR WEIGHT (Da) | 346.4670 |
| ACCURATE MASS (Da) | 346.2144 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Emericella |
| ORIGIN SPECIES | sp. IFM57991 |
| InChIKey | SQKPJSAFJDLBGU-ICSRJNTNSA-N |
| InChI | InChI=1S/C21H30O4/c1-4-5-6-7-18(23)19(24)12-20-21-15(9-8-14(2)3)10-11-17(22)16(21)13-25-20/h8,10-11,18,20,22-23H,4-7,9,12-13H2,1-3H3/t18-,20-/m0/s1 |
| SMILES | CCCCC[C@@H](C(=O)C[C@H]1C2=C(C=CC(=C2CO1)O)CC=C(C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Saito, Tetsuya; Itabashi, Takeshi; Wakana, Daigo; Takeda, Hisashi; Yaguchi, Takashi; Kawai, Ken-Ichi; Hosoe, Tomoo Isolation and structure elucidation of new phthalide and phthalane derivatives, isolated as antimicrobial agents from Emericella sp. IFM57991 Journal of Antibiotics 2016 69 (2) 89-96. | ||
|---|---|---|---|
| DOI | 10.1038/ja.2015.85 | PMID | 26306816 |
