Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019254
PROPERTIES
| NPAID | NPA019254 |
|---|---|
| CLUSTER ID | 255 |
| NODE ID | 52 |
| NAME | Dihydrobotrydial |
| FORMULA | C17H28O5 |
| MOLECULAR WEIGHT (Da) | 312.4060 |
| ACCURATE MASS (Da) | 312.1937 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Botrytis |
| ORIGIN SPECIES | cinerea |
| InChIKey | QUGYVDURDBEQRB-CJNHKLDISA-N |
| InChI | InChI=1S/C17H28O5/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/h9,11-14,19-20H,6-8H2,1-5H3/t9-,11+,12-,13+,14+,16-,17-/m1/s1 |
| SMILES | C[C@@H]1C[C@@H]([C@@H]2[C@@]3([C@H]1[C@H](OC[C@]3(CC2(C)C)C)O)O)OC(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Fehlhaber, Hans-Wolfram; Geipel, Renate; Mercker, Hans-Jochen; Tschesche, Rudolf; Welmar, Karin; Schönbeck, F Botrydial, ein Sesquiterpen-Antibiotikum aus der Nährlösung des Pilzes Botrytis cinerea Chemische Berichte 1974 107 (5) 1720-1730. | ||
|---|---|---|---|
| DOI | 10.1002/cber.19741070530 | PMID | - |
