Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012201
PROPERTIES
| NPAID | NPA012201 |
|---|---|
| CLUSTER ID | 3852 |
| NODE ID | 326 |
| NAME | (R)-3,4-dihydro-4,6,8-trihydroxy-4,5-dimethyl-3-methyleneisochromen-1-one |
| FORMULA | C12H12O5 |
| MOLECULAR WEIGHT (Da) | 236.2230 |
| ACCURATE MASS (Da) | 236.0685 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Leptosphaeria |
| ORIGIN SPECIES | sp. KTC 727 |
| InChIKey | RFLUVNUXLRYNNJ-LBPRGKRZSA-N |
| InChI | InChI=1S/C12H12O5/c1-5-7(13)4-8(14)9-10(5)12(3,16)6(2)17-11(9)15/h4,13-14,16H,2H2,1,3H3/t12-/m0/s1 |
| SMILES | CC1=C(C=C(C2=C1[C@@](C(=C)OC2=O)(C)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Tayone, Wilanfranco C.; Honma, Miho; Kanamaru, Saki; Noguchi, Shogo; Tanaka, Kazuaki; Nehira, Tatsuo; Hashimoto, Masaru Stereochemical investigations of isochromenones and isobenzofuranones isolated from Leptosphaeria sp. KTC 727 Journal of Natural Products 2011 74 (3) 425-429. | ||
|---|---|---|---|
| DOI | 10.1021/np100838j | PMID | 21265556 |
