Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009435
PROPERTIES
| NPAID | NPA009435 |
|---|---|
| CLUSTER ID | 3905 |
| NODE ID | 11 |
| NAME | (3S,4R)-6-hydroxy-8-methoxy-3,5-dimethyl-4-isochromanol |
| FORMULA | C12H16O4 |
| MOLECULAR WEIGHT (Da) | 224.2560 |
| ACCURATE MASS (Da) | 224.1049 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | sp. |
| InChIKey | FWQJAZKWNXACKB-MADCSZMMSA-N |
| InChI | InChI=1S/C12H16O4/c1-6-9(13)4-10(15-3)8-5-16-7(2)12(14)11(6)8/h4,7,12-14H,5H2,1-3H3/t7-,12-/m0/s1 |
| SMILES | C[C@H]1[C@@H](C2=C(CO1)C(=CC(=C2C)O)OC)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Orfali, Raha S.; Aly, Amal H.; Ebrahim, Weaam; Rudiyansyah; Proksch, Peter Isochroman and isocoumarin derivatives from hypersaline lake sediment-derived fungus Penicillium sp Phytochemistry Letters 2015 13 234-238. | ||
|---|---|---|---|
| DOI | 10.1016/j.phytol.2015.06.003 | PMID | - |
