Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA029809
PROPERTIES
| NPAID | NPA029809 |
|---|---|
| CLUSTER ID | 978 |
| NODE ID | 11 |
| NAME | Botryosphaerone E |
| FORMULA | C14H18O5 |
| MOLECULAR WEIGHT (Da) | 266.2930 |
| ACCURATE MASS (Da) | 266.1154 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Pyrenochaetopsis |
| ORIGIN SPECIES | sp. (strain MSX63693) |
| InChIKey | YLSOOYDKHUEZQR-YPMHNXCESA-N |
| InChI | InChI=1S/C14H18O5/c1-4-7-10(18-2)5-8-12(14(7)17)9(15)6-11(19-3)13(8)16/h5,11,13,16-17H,4,6H2,1-3H3/t11-,13+/m1/s1 |
| SMILES | CCC1=C(OC)C=C2C(=C1O)C(=O)C[C@@H](OC)[C@H]2O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Bacon, Jeffrey W.; Burdette, Joanna E.; Flores-Bocanegra, Laura; Maldonado, Amanda C.; Oberlies, Nicholas H.; Pearce, Cedric J.; Raja, Huzefa A. Cytotoxic Naphthoquinone Analogues, including Heterodimers, and Their Structure Elucidation Using LR-HSQMBC NMR Experiments Journal of Natural Products 2020 None. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.0c00856 | PMID | 33006889 |
