Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008033
PROPERTIES
| NPAID | NPA008033 |
|---|---|
| CLUSTER ID | 796 |
| NODE ID | 690 |
| NAME | Speciosin B |
| FORMULA | C10H8O4 |
| MOLECULAR WEIGHT (Da) | 192.1700 |
| ACCURATE MASS (Da) | 192.0423 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Hexagonia |
| ORIGIN SPECIES | speciosa |
| InChIKey | NMVKRQSNUNLTPY-BYQWJPFDSA-N |
| InChI | InChI=1S/C10H8O4/c11-7-1-2-8(12)10(9(7)14-10)4-3-6-5-13-6/h1-2,6-7,9,11H,5H2/t6?,7-,9+,10-/m0/s1 |
| SMILES | C1C(O1)C#C[C@]23[C@H](O2)[C@H](C=CC3=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Jiang, Meng-Yuan; Zhang, Ling; Liu, Rong; Dong, Ze-Jun; Liu, Ji-Kai Speciosins A-K, oxygenated cyclohexanoids from the basidiomycete Hexagonia speciosa Journal of Natural Products 2009 72 (8) 1405-1409. | ||
|---|---|---|---|
| DOI | 10.1021/np900182m | PMID | 19624146 |
