Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA023755
PROPERTIES
| NPAID | NPA023755 |
|---|---|
| CLUSTER ID | 1261 |
| NODE ID | 1069 |
| NAME | (2S,4S,5S,7S)-2,11-dihydroxyeremophil-9-en-8-one |
| FORMULA | C15H24O3 |
| MOLECULAR WEIGHT (Da) | 252.3540 |
| ACCURATE MASS (Da) | 252.1725 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Botrytis |
| ORIGIN SPECIES | cinerea |
| InChIKey | BKVUVOHZOYNWHJ-BTABJRDXSA-N |
| InChI | InChI=1S/C15H24O3/c1-9-5-11(16)6-10-7-13(17)12(14(2,3)18)8-15(9,10)4/h7,9,11-12,16,18H,5-6,8H2,1-4H3/t9-,11-,12+,15-/m0/s1 |
| SMILES | C[C@H]1C[C@@H](CC2=CC(=O)[C@@H](C[C@@]12C)C(C)(C)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Suárez, Ivonne; da Silva Lima, Gesiane; Conti, Raphael; Pinedo, Cristina; Moraga, Javier; Barúa, Javier; de Oliveira, Ana Ligia L.; Aleu, Josefina; Durán-Patrón, Rosa; Macías-Sánchez, Antonio J.; Hanson, James R.; Tallarico Pupo, Mônica; Hernández-Galán, Rosario; Collado, Isidro G. Structural and biosynthetic studies on eremophilenols related to the phytoalexin capsidiol, produced by Botrytis cinerea Phytochemistry 2018 154 10-18. | ||
|---|---|---|---|
| DOI | 10.1016/j.phytochem.2018.06.010 | PMID | 29929021 |
