Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012579
PROPERTIES
| NPAID | NPA012579 |
|---|---|
| CLUSTER ID | 255 |
| NODE ID | 52 |
| NAME | 10-Oxo-dihydrobotrydial |
| FORMULA | C17H26O5 |
| MOLECULAR WEIGHT (Da) | 310.3900 |
| ACCURATE MASS (Da) | 310.1780 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Botrytis |
| ORIGIN SPECIES | cinerea |
| InChIKey | MFOUCDNLAFNKML-SVLWDWOGSA-N |
| InChI | InChI=1S/C17H26O5/c1-9-6-11(22-10(2)18)13-15(3,4)7-16(5)8-21-14(19)12(9)17(13,16)20/h9,11-13,20H,6-8H2,1-5H3/t9-,11+,12-,13+,16-,17-/m1/s1 |
| SMILES | C[C@@H]1C[C@@H]([C@@H]2[C@@]3([C@H]1C(=O)OC[C@]3(CC2(C)C)C)O)OC(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Collado, Isidro G.; Hernández-Galán, Rosario; Durán-Patrón, Rosa; Cantoral, Jesús M. Metabolites from a shake culture of Botrytis cinerea Phytochemistry 1995 38 (3) 647-650. | ||
|---|---|---|---|
| DOI | 10.1016/0031-9422(94)00690-u | PMID | - |
