Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA002526
PROPERTIES
NPAID | NPA002526 |
---|---|
CLUSTER ID | 1491 |
NODE ID | 1225 |
NAME | 4β-Acetoxytetrahydrobotryslactone |
FORMULA | C20H30O6 |
MOLECULAR WEIGHT (Da) | 366.4540 |
ACCURATE MASS (Da) | 366.2042 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Botrytis |
ORIGIN SPECIES | cinerea |
InChIKey | RVXLTRZIAMMATE-JMTSMVSISA-N |
InChI | InChI=1S/C20H30O6/c1-10-6-14(25-11(2)22)16-17(20(5,9-21)8-19(16,3)4)15(10)13-7-12(23)18(24)26-13/h10,12-14,16,21,23H,6-9H2,1-5H3/t10-,12-,13+,14+,16-,20-/m1/s1 |
SMILES | C[C@@H]1C[C@@H]([C@@H]2C(=C1[C@@H]3C[C@H](C(=O)O3)O)[C@@](CC2(C)C)(C)CO)OC(=O)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Colmenares, Ana J.; Duran-Patron, Rosa M.; Hernandez-Galan, Rosario; Collado, Isidro G. Four new lactones from Botrytis cinerea Journal of Natural Products 2002 65 (11) 1724-1726. | ||
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DOI | 10.1021/np020107v | PMID | 12444715 |