Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA026367
PROPERTIES
| NPAID | NPA026367 |
|---|---|
| CLUSTER ID | 7977 |
| NODE ID | 11 |
| NAME | Agnestin A |
| FORMULA | C15H12O6 |
| MOLECULAR WEIGHT (Da) | 288.2550 |
| ACCURATE MASS (Da) | 288.0634 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Paecilomyces |
| ORIGIN SPECIES | variotii |
| InChIKey | PFGOJDXPCPCBJM-OLZOCXBDSA-N |
| InChI | InChI=1S/C15H12O6/c1-6-5-9-11(12(13(6)17)15(19)20)14(18)10-7(16)3-2-4-8(10)21-9/h2-5,12-13,16-17H,1H3,(H,19,20)/t12-,13+/m1/s1 |
| SMILES | CC1=CC2=C(C(=O)C3=C(C=CC=C3O)O2)[C@@H](C(=O)O)[C@H]1O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Szwalbe, Agnieszka J.; Williams, Katherine; Song, Zhongshu; De Mattos-Shipley, Kate; Vincent, Jason L.; Bailey, Andrew M.; Willis, Christine L.; Cox, Russell J.; Simpson, Thomas J. Characterisation of the biosynthetic pathway to agnestins A and B reveals the reductive route to chrysophanol in fungi Chemical Science 2019 10 (1) 233-238. | ||
|---|---|---|---|
| DOI | 10.1039/C8SC03778G | PMID | 30746079 |
