Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA023973
PROPERTIES
| NPAID | NPA023973 |
|---|---|
| CLUSTER ID | 6438 |
| NODE ID | 4451 |
| NAME | Alternapyrone C |
| FORMULA | C28H44O5 |
| MOLECULAR WEIGHT (Da) | 460.6550 |
| ACCURATE MASS (Da) | 460.3189 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Parastagonospora |
| ORIGIN SPECIES | nodorum |
| InChIKey | BEOXKIXIEOFDGJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C28H44O5/c1-8-24(16-29)14-18(2)10-9-11-25(17-30)15-20(4)12-19(3)13-21(5)27-22(6)26(31)23(7)28(32)33-27/h12,14-15,21,24-25,29-31H,8-11,13,16-17H2,1-7H3 |
| SMILES | CCC(CO)C=C(C)CCCC(CO)C=C(C)C=C(C)CC(C)C1=C(C(=C(C(=O)O1)C)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Li, Hang; Hu, Jinyu; Wei, Haochen; Solomon, Peter S.; Vuong, Daniel; Lacey, Ernest; Stubbs, Keith A.; Piggott, Andrew M.; Chooi, Yit-Heng Chemical Ecogenomics-Guided Discovery of Phytotoxic α-Pyrones from the Fungal Wheat Pathogen Parastagonospora nodorum Organic Letters 2018 20 (19) 6148-6152. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.8b02617 | PMID | 30226784 |
