Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA004570
PROPERTIES
NPAID | NPA004570 |
---|---|
CLUSTER ID | 1358 |
NODE ID | 1141 |
NAME | 3-(1,2-epoxypropyl)-5,6-dihydro-5-hydroxy-6-methylpyran-2-one |
FORMULA | C9H12O4 |
MOLECULAR WEIGHT (Da) | 184.1910 |
ACCURATE MASS (Da) | 184.0736 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Aspergillus |
ORIGIN SPECIES | westerdijkiae |
InChIKey | RCAULRNMJFUWRP-HETMPLHPSA-N |
InChI | InChI=1S/C9H12O4/c1-4-7(10)3-6(9(11)13-4)8-5(2)12-8/h3-5,7-8,10H,1-2H3/t4-,5+,7+,8-/m1/s1 |
SMILES | C[C@@H]1[C@H](C=C(C(=O)O1)[C@H]2[C@@H](O2)C)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Mills, SD; Turner, WB A new metabolite of Aspergillus melleus Journal of the Chemical Society C: Organic 1967 2242-2244. | ||
---|---|---|---|
DOI | 10.1039/j39670002242 | PMID | - |