Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00004685798 | Bronze | 1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)butan-1-one |
| CCMSLIB00004685799 | Bronze | 1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)butan-1-one |
| CCMSLIB00000847292 | Gold | 1 |
COMPOUND NPA015002
PROPERTIES
| NPAID | NPA015002 |
|---|---|
| CLUSTER ID | 4132 |
| NODE ID | 3069 |
| NAME | Deoxyphomalone |
| FORMULA | C13H18O4 |
| MOLECULAR WEIGHT (Da) | 238.2830 |
| ACCURATE MASS (Da) | 238.1205 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Phoma |
| ORIGIN SPECIES | etheridgei |
| InChIKey | GRQAKVFPDMDUIF-UHFFFAOYSA-N |
| InChI | InChI=1S/C13H18O4/c1-4-6-9(14)12-11(17-3)7-10(15)8(5-2)13(12)16/h7,15-16H,4-6H2,1-3H3 |
| SMILES | CCCC(=O)C1=C(C(=C(C=C1OC)O)CC)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ayer, William A.; Jimenez, Luis Diego Phomalone, an antifungal metabolite of Phoma etheridgei Canadian Journal of Chemistry 1994 72 (11) 2326-2332. | ||
|---|---|---|---|
| DOI | 10.1139/v94-296 | PMID | - |
