Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013461
PROPERTIES
| NPAID | NPA013461 |
|---|---|
| CLUSTER ID | 4929 |
| NODE ID | 3540 |
| NAME | Monaspurpurone |
| FORMULA | C13H14O5 |
| MOLECULAR WEIGHT (Da) | 250.2500 |
| ACCURATE MASS (Da) | 250.0841 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Monascus |
| ORIGIN SPECIES | purpureus |
| InChIKey | NSRAXDCHRMOUJF-WCQYABFASA-N |
| InChI | InChI=1S/C13H14O5/c1-6(14)8-5-9-7(3-10(8)15)4-11(16)13(2,18)12(9)17/h3,5,11,15-16,18H,4H2,1-2H3/t11-,13+/m0/s1 |
| SMILES | CC(=O)C1=C(C=C2C[C@@H]([C@@](C(=O)C2=C1)(C)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Cheng, Ming-Jen; Wu, Ming-Der; Chen, Ih-Sheng; Chen, Chung-Yi; Lo, Wen-Li; Yuan, Gwo-Fang Secondary metabolites from the red mould rice of Monascus purpureus BCRC 38113 Natural Product Research 2010 24 (18) 1719-1725. | ||
|---|---|---|---|
| DOI | 10.1080/14786410902941477 | PMID | 19459082 |
