Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA017127
PROPERTIES
| NPAID | NPA017127 |
|---|---|
| CLUSTER ID | 5796 |
| NODE ID | 4085 |
| NAME | 10-Hydroxy-trans-paspalic acid Amide |
| FORMULA | C16H17N3O2 |
| MOLECULAR WEIGHT (Da) | 283.3310 |
| ACCURATE MASS (Da) | 283.1321 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Claviceps |
| ORIGIN SPECIES | paspali |
| InChIKey | MVQSONRXBDJXNB-CJNGLKHVSA-N |
| InChI | InChI=1S/C16H17N3O2/c1-19-8-10(15(17)20)6-16(21)11-3-2-4-12-14(11)9(7-18-12)5-13(16)19/h2-4,6-7,13,18,21H,5,8H2,1H3,(H2,17,20)/t13-,16+/m1/s1 |
| SMILES | CN1CC(=C[C@]2([C@H]1CC3=CNC4=CC=CC2=C34)O)C(=O)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Flieger, M.; Sedmera, P.; Havlíček, V.; Cvak, L.; Stuchlík, J. 10-Hydroxy-cis- and 10-Hydroxy-trans-paspalic Acid Amide: New Alkaloids from Claviceps paspali Journal of Natural Products 1993 56 (6) 810-814. | ||
|---|---|---|---|
| DOI | 10.1021/np50096a002 | PMID | - |
