Compounds
ID | Spectrum Quality | Annotated Name |
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COMPOUND NPA019653
PROPERTIES
NPAID | NPA019653 |
---|---|
CLUSTER ID | 1632 |
NODE ID | 1338 |
NAME | 8,9-epibotrydial |
FORMULA | C17H26O5 |
MOLECULAR WEIGHT (Da) | 310.3900 |
ACCURATE MASS (Da) | 310.1780 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Botrytis |
ORIGIN SPECIES | cinerea |
InChIKey | SJFIYVCSGNWVPJ-PQVRDHEWSA-N |
InChI | InChI=1S/C17H26O5/c1-10-6-13(22-11(2)20)14-15(3,4)8-16(5,9-19)17(14,21)12(10)7-18/h7,9-10,12-14,21H,6,8H2,1-5H3/t10-,12+,13+,14+,16+,17+/m1/s1 |
SMILES | C[C@@H]1C[C@@H]([C@@H]2[C@@]([C@H]1C=O)([C@](CC2(C)C)(C)C=O)O)OC(=O)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Durán-Patrón, Rosa; Hernández-Galán, Rosario; Rebordinos, Laureana G.; Cantoral, Jesús M.; Collado, Isidro G. Structure-activity relationships of new phytotoxic metabolites with the botryane skeleton from Botrytis cinerea Tetrahedron 1999 55 (8) 1517-1521. | ||
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DOI | 10.1016/0006-2952(75)90029-5 | PMID | - |