Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA005337
PROPERTIES
| NPAID | NPA005337 |
|---|---|
| CLUSTER ID | 2634 |
| NODE ID | 2048 |
| NAME | 3,7-dimethyl-1,8-dihydroxy-6-methoxyisochroman |
| FORMULA | C12H16O4 |
| MOLECULAR WEIGHT (Da) | 224.2560 |
| ACCURATE MASS (Da) | 224.1049 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | steckii |
| InChIKey | JAMOAVUTINVWFP-PWCHPLFNSA-N |
| InChI | InChI=1S/C12H16O4/c1-6-4-8-5-9(15-3)7(2)11(13)10(8)12(14)16-6/h5-6,12-14H,4H2,1-3H3/t6-,12+/m0/s1 |
| SMILES | C[C@H]1CC2=CC(=C(C(=C2[C@@H](O1)O)O)C)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Malmstrom, Joan; Christophersen, Carsten; Frisvad, Jens C. Secondary metabolites characteristic of Penicillium citrinum, Penicillium steckii and related species Phytochemistry 2000 54 (3) 301-309. | ||
|---|---|---|---|
| DOI | 10.1016/s0031-9422(00)00106-0 | PMID | - |
