Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009686
PROPERTIES
| NPAID | NPA009686 |
|---|---|
| CLUSTER ID | 2441 |
| NODE ID | 442 |
| NAME | Monascin |
| FORMULA | C21H26O5 |
| MOLECULAR WEIGHT (Da) | 358.4340 |
| ACCURATE MASS (Da) | 358.1780 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Monascus |
| ORIGIN SPECIES | sp. |
| InChIKey | XXKNHBAFFJINCK-RVEJDSBJSA-N |
| InChI | InChI=1S/C21H26O5/c1-4-6-7-9-17(22)18-16-11-13-10-14(8-5-2)25-12-15(13)19(23)21(16,3)26-20(18)24/h5,8,10,16,18H,4,6-7,9,11-12H2,1-3H3/b8-5+/t16-,18+,21-/m1/s1 |
| SMILES | CCCCCC(=O)[C@@H]1[C@H]2CC3=C(COC(=C3)/C=C/C)C(=O)[C@@]2(OC1=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Fielding, BC; Holker, JSE; Jones, DF; Powell, ADG; Richmond, KW; Robertson, Alexander; Whalley, WB 898. The chemistry of fungi. Part XXXIX. The structure of monascin Journal of the Chemical Society 1961 4579-4589. | ||
|---|---|---|---|
| DOI | 10.1039/jr9610004579 | PMID | - |
