Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA026368
PROPERTIES
| NPAID | NPA026368 |
|---|---|
| CLUSTER ID | 7978 |
| NODE ID | 11 |
| NAME | Agnestin B |
| FORMULA | C15H12O6 |
| MOLECULAR WEIGHT (Da) | 288.2550 |
| ACCURATE MASS (Da) | 288.0634 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Paecilomyces |
| ORIGIN SPECIES | variotii |
| InChIKey | OYXUFBCXEHRKBW-UXIGCNINSA-N |
| InChI | InChI=1S/C15H12O6/c1-15-5-8-10(11(13(15)18)14(19)21-15)12(17)9-6(16)3-2-4-7(9)20-8/h2-4,11,13,16,18H,5H2,1H3/t11-,13-,15-/m1/s1 |
| SMILES | C[C@]12CC3=C(C(=O)C4=C(C=CC=C4O)O3)[C@@H](C(=O)O1)[C@H]2O |
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 |
