Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016762
PROPERTIES
| NPAID | NPA016762 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | Thielavin S |
| FORMULA | C25H24O8 |
| MOLECULAR WEIGHT (Da) | 452.4590 |
| ACCURATE MASS (Da) | 452.1471 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Setophoma |
| ORIGIN SPECIES | sp. |
| InChIKey | QUVZPCQMCZMGDL-UHFFFAOYSA-N |
| InChI | InChI=1S/C25H24O8/c1-11-6-17(27)14(4)19(7-11)32-25(31)22-13(3)9-20(15(5)23(22)29)33-24(30)21-12(2)8-16(26)10-18(21)28/h6-10,26-29H,1-5H3 |
| SMILES | CC1=CC(=C(C(=C1)OC(=O)C2=C(C(=C(C=C2C)OC(=O)C3=C(C=C(C=C3C)O)O)C)O)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Medeiros, Lívia S. de; Abreu, Lucas M.; Nielsen, Anita; Ingmer, Hanne; Larsen, Thomas O.; Nielsen, Kristian F.; Rodrigues-Filho, Edson Dereplication-guided isolation of depsides thielavins S-T and lecanorins D-F from the endophytic fungus Setophoma sp Phytochemistry 2015 111 154-162. | ||
|---|---|---|---|
| DOI | 10.1016/j.phytochem.2014.12.020 | PMID | 25586883 |
