Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008427
PROPERTIES
| NPAID | NPA008427 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | (16S)-hydroxyroquefortine C |
| FORMULA | C22H23N5O3 |
| MOLECULAR WEIGHT (Da) | 405.4580 |
| ACCURATE MASS (Da) | 405.1801 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | crustosum DAOM 215343 T |
| InChIKey | KZSZQDUCTFQAES-BWAGFHJFSA-N |
| InChI | InChI=1S/C22H23N5O3/c1-4-20(2,3)21-11-22(30)19(29)26-16(9-13-10-23-12-24-13)17(28)27(22)18(21)25-15-8-6-5-7-14(15)21/h4-10,12,18,25,30H,1,11H2,2-3H3,(H,23,24)(H,26,29)/t18-,21+,22-/m0/s1 |
| SMILES | CC(C)(C=C)[C@@]12C[C@@]3(C(=O)NC(=CC4=CN=CN4)C(=O)N3[C@@H]1NC5=CC=CC=C25)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Trimble, Laird A.; Sumarah, Mark W.; Blackwell, Barbara A.; Wrona, Mark D.; Miller, J. David Characterization of (16R) and (16S)-hydroxyroquefortine C; Diastereomeric metabolites from Penicillium crustosum DAOM 215343 Tetrahedron Letters 2012 53 (8) 956-958. | ||
|---|---|---|---|
| DOI | 10.1016/j.tetlet.2011.12.052 | PMID | - |
