Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA005639
PROPERTIES
| NPAID | NPA005639 |
|---|---|
| CLUSTER ID | 2742 |
| NODE ID | 2122 |
| NAME | 7alpha-Acetoxydeacetylbotryenedial |
| FORMULA | C17H24O5 |
| MOLECULAR WEIGHT (Da) | 308.3740 |
| ACCURATE MASS (Da) | 308.1624 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Daldinia |
| ORIGIN SPECIES | concentrica |
| InChIKey | LOZDGOGEQSPGNS-RTNSRKOKSA-N |
| InChI | InChI=1S/C17H24O5/c1-9-6-12(21)14-13(11(9)7-18)17(5,8-19)15(16(14,3)4)22-10(2)20/h7-9,12,14-15,21H,6H2,1-5H3/t9-,12+,14-,15-,17-/m1/s1 |
| SMILES | C[C@@H]1C[C@@H]([C@@H]2C(=C1C=O)[C@@]([C@@H](C2(C)C)OC(=O)C)(C)C=O)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 |
