Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA013305
PROPERTIES
NPAID | NPA013305 |
---|---|
CLUSTER ID | 4888 |
NODE ID | 52 |
NAME | methyl 7alpha-acetoxydeacetylbotryoloate |
FORMULA | C18H30O7 |
MOLECULAR WEIGHT (Da) | 358.4310 |
ACCURATE MASS (Da) | 358.1992 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Daldinia |
ORIGIN SPECIES | concentrica |
InChIKey | LKOUBWVSURQBDA-WTXGEHBBSA-N |
InChI | InChI=1S/C18H30O7/c1-9-7-11(21)13-16(3,4)15(25-10(2)20)17(5,8-19)18(13,23)12(9)14(22)24-6/h9,11-13,15,19,21,23H,7-8H2,1-6H3/t9-,11+,12-,13+,15-,17+,18-/m1/s1 |
SMILES | C[C@@H]1C[C@@H]([C@@H]2[C@]([C@H]1C(=O)OC)([C@@]([C@@H](C2(C)C)OC(=O)C)(C)CO)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 |