Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005727710 | Gold | 3 |
| CCMSLIB00005727347 | Gold | 3 |
| CCMSLIB00005727825 | Gold | 3 |
| CCMSLIB00005727163 | Gold | 3 |
COMPOUND NPA002872
PROPERTIES
| NPAID | NPA002872 |
|---|---|
| CLUSTER ID | 746 |
| NODE ID | 650 |
| NAME | Chanoclavine II |
| FORMULA | C16H20N2O |
| MOLECULAR WEIGHT (Da) | 256.3490 |
| ACCURATE MASS (Da) | 256.1576 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Claviceps |
| ORIGIN SPECIES | purpurea |
| InChIKey | SAHHMCVYMGARBT-GJTNBUKJSA-N |
| InChI | InChI=1S/C16H20N2O/c1-10(9-19)6-13-12-4-3-5-14-16(12)11(8-18-14)7-15(13)17-2/h3-6,8,13,15,17-19H,7,9H2,1-2H3/b10-6+/t13-,15+/m0/s1 |
| SMILES | C/C(=C\[C@@H]1[C@@H](CC2=CNC3=CC=CC1=C23)NC)/CO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Stauffacher, D; Tscherter, H Isomere des Chanoclavins aus Claviceps purpurea (Fr.) Tul.(Secale cornutum) 63. Mitteilung über Mutterkornalkaloide Helvetica Chimica Acta 1964 47 (8) 2186-2194. | ||
|---|---|---|---|
| DOI | 10.1002/hlca.19640470811 | PMID | - |
