Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA006510
PROPERTIES
NPAID | NPA006510 |
---|---|
CLUSTER ID | 2255 |
NODE ID | 1786 |
NAME | Botcinin F |
FORMULA | C20H32O7 |
MOLECULAR WEIGHT (Da) | 384.4690 |
ACCURATE MASS (Da) | 384.2148 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Botrytis |
ORIGIN SPECIES | cinerea AEM 211 |
InChIKey | NTXBEGLMBLTXSP-PIJDILSTSA-N |
InChI | InChI=1S/C20H32O7/c1-6-7-8-14(21)9-10-15(22)25-16-11(2)18-20(5,27-13(16)4)17(23)12(3)19(24)26-18/h9-14,16-18,21,23H,6-8H2,1-5H3/b10-9+/t11-,12+,13+,14+,16-,17+,18+,20-/m1/s1 |
SMILES | CCCC[C@@H](/C=C/C(=O)O[C@@H]1[C@H]([C@H]2[C@@]([C@H]([C@@H](C(=O)O2)C)O)(O[C@H]1C)C)C)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Tani, H.; Koshino, H.; Sakuno, E.; Cutler, H. G.; Nakajima, H. Botcinins E and F and Botcinolide from Botrytis cinerea and Structural Revision of Botcinolides Journal of Natural Products 2006 69 (4) 722-725. | ||
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DOI | 10.1021/np060071x | PMID | 16643065 |