Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013993
PROPERTIES
| NPAID | NPA013993 |
|---|---|
| CLUSTER ID | 5059 |
| NODE ID | 3626 |
| NAME | 7alpha-Acetoxydehydrobotrydienal |
| FORMULA | C17H20O4 |
| MOLECULAR WEIGHT (Da) | 288.3430 |
| ACCURATE MASS (Da) | 288.1362 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Daldinia |
| ORIGIN SPECIES | concentrica |
| InChIKey | WSSILCRIAMAUNA-NVXWUHKLSA-N |
| InChI | InChI=1S/C17H20O4/c1-10-6-7-13-14(12(10)8-18)17(5,9-19)15(16(13,3)4)21-11(2)20/h6-9,15H,1-5H3/t15-,17-/m1/s1 |
| SMILES | CC1=C(C2=C(C=C1)C([C@H]([C@]2(C)C=O)OC(=O)C)(C)C)C=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Qin, Xiang-Dong; Shao, Hong-Jun; Dong, Ze-Jun; Liu, Ji-Kai Six New Induced Sesquiterpenes from the Cultures of Ascomycete Daldinia concentrica Journal of Antibiotics 2008 61 (9) 556-562. | ||
|---|---|---|---|
| DOI | 10.1038/ja.2008.74 | PMID | 19160523 |
