Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012070
PROPERTIES
| NPAID | NPA012070 |
|---|---|
| CLUSTER ID | 4582 |
| NODE ID | 3347 |
| NAME | Botrydienal |
| FORMULA | C15H20O2 |
| MOLECULAR WEIGHT (Da) | 232.3230 |
| ACCURATE MASS (Da) | 232.1463 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Botryotinia |
| ORIGIN SPECIES | squamosa |
| InChIKey | CFAMAVBUWMXYLX-MEBBXXQBSA-N |
| InChI | InChI=1S/C15H20O2/c1-10-5-6-12-13(11(10)7-16)15(4,9-17)8-14(12,2)3/h6-7,9-10H,5,8H2,1-4H3/t10-,15-/m1/s1 |
| SMILES | C[C@@H]1CC=C2C(=C1C=O)[C@@](CC2(C)C)(C)C=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kimata, Toshiya; Natsume, Masahiro; Marumo, Shingo BOTRYDIENAL, A NEW PHYTOTOXIN, AND ITS RELATED METABOLITES, DEHYDROBOTRYDIENAL AND DEACETYLDIHYDROBOTRYDIAL PRODUCED BY BOTRYOTINIA SQUAMOSA Tetrahedron Letters 1985 26 (17) 2097-2100. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4039(00)94788-9 | PMID | - |
