Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007471
PROPERTIES
| NPAID | NPA007471 |
|---|---|
| CLUSTER ID | 3335 |
| NODE ID | 2526 |
| NAME | 2,3-dihydropyrenophorolic acid |
| FORMULA | C8H16O4 |
| MOLECULAR WEIGHT (Da) | 176.2120 |
| ACCURATE MASS (Da) | 176.1049 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Phoma |
| ORIGIN SPECIES | sp. |
| InChIKey | AWGJZHDUIWLGAQ-RQJHMYQMSA-N |
| InChI | InChI=1S/C8H16O4/c1-6(9)2-3-7(10)4-5-8(11)12/h6-7,9-10H,2-5H2,1H3,(H,11,12)/t6-,7+/m1/s1 |
| SMILES | C[C@H](CC[C@@H](CCC(=O)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Krohn, Karsten; Farooq, Umar; Flörke, Ulrich; Schulz, Barbara; Draeger, Siegfried; Pescitelli, Gennaro; Salvadori, Piero; Antus, Sandor; Kurtán, Tibor Secondary Metabolites Isolated from an Endophytic Phoma sp.-Absolute Configuration of Tetrahydropyrenophorol Using the Solid-State TDDFT CD Methodology European Journal of Organic Chemistry 2007 2007 (19) 3206-3211. | ||
|---|---|---|---|
| DOI | 10.1002/ejoc.200601128 | PMID | 25855820 |
