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. | ||
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DOI | 10.1038/ja.2008.74 | PMID | 19160523 |