Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014993
PROPERTIES
| NPAID | NPA014993 |
|---|---|
| CLUSTER ID | 3743 |
| NODE ID | 921 |
| NAME | Speciosin N |
| FORMULA | C11H14O5 |
| MOLECULAR WEIGHT (Da) | 226.2280 |
| ACCURATE MASS (Da) | 226.0841 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Hexagonia |
| ORIGIN SPECIES | speciosa |
| InChIKey | NBVMVBRMJCNNNY-KLDZRKOQSA-N |
| InChI | InChI=1S/C11H14O5/c1-10(15,6-12)4-5-11-8(14)3-2-7(13)9(11)16-11/h2-3,7-9,12-15H,6H2,1H3/t7-,8-,9+,10?,11-/m0/s1 |
| SMILES | CC(CO)(C#C[C@]12[C@H](C=C[C@@H]([C@H]1O2)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Jiang, Meng-Yuan; Li, Yan; Wang, Fei; Liu, Ji-Kai Isoprenylated cyclohexanoids from the basidiomycete Hexagonia speciosa Phytochemistry 2011 72 (9) 923-928. | ||
|---|---|---|---|
| DOI | 10.1016/j.phytochem.2011.03.011 | PMID | 21477823 |
