Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000840
PROPERTIES
| NPAID | NPA000840 |
|---|---|
| CLUSTER ID | 391 |
| NODE ID | 352 |
| NAME | gamma-ergokryptinine |
| FORMULA | C32H41N5O5 |
| MOLECULAR WEIGHT (Da) | 575.7100 |
| ACCURATE MASS (Da) | 575.3108 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Claviceps |
| ORIGIN SPECIES | purpurea CCM 8059 |
| InChIKey | JOEVHYRUBQUMOP-HPQWYOPTSA-N |
| InChI | InChI=1S/C32H41N5O5/c1-5-6-11-24-29(39)36-13-8-12-26(36)32(41)37(24)30(40)31(42-32,18(2)3)34-28(38)20-14-22-21-9-7-10-23-27(21)19(16-33-23)15-25(22)35(4)17-20/h7,9-10,14,16,18,20,24-26,33,41H,5-6,8,11-13,15,17H2,1-4H3,(H,34,38)/t20?,24-,25+,26-,31+,32-/m0/s1 |
| SMILES | CCCC[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)C4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Cvak, L.; Jegorov, A.; Sedmera, P.; Císařová, I.; Čejka, J.; Kratochvíl, B.; Pakhomova, S. Norleucine, a natural occurrence in a novel ergot alkaloid γ-ergokryptinine Amino Acids 2005 29 (2) 145-150. | ||
|---|---|---|---|
| DOI | 10.1007/s00726-005-0180-2 | PMID | 15723237 |
