Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012923
PROPERTIES
| NPAID | NPA012923 |
|---|---|
| CLUSTER ID | 1076 |
| NODE ID | 326 |
| NAME | (R)-7-hydroxy-3-((S)-1-hydroxyethyl)-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one |
| FORMULA | C13H16O5 |
| MOLECULAR WEIGHT (Da) | 252.2660 |
| ACCURATE MASS (Da) | 252.0998 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Leptosphaeria |
| ORIGIN SPECIES | sp. KTC 727 |
| InChIKey | YKQYIQHWWYVPHK-CPFSXVBKSA-N |
| InChI | InChI=1S/C13H16O5/c1-6-9(17-4)5-8(15)10-11(6)13(3,7(2)14)18-12(10)16/h5,7,14-15H,1-4H3/t7-,13-/m0/s1 |
| SMILES | CC1=C(C=C(C2=C1[C@](OC2=O)(C)[C@H](C)O)O)OC |
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 |
