| Name |
beta-Ergocryptam |
| Formula |
C32H41N5O4 |
| Mw |
559.31585483 |
| CAS RN |
97387-94-5 |
| C_ID |
C00011238
, 
|
| InChIKey |
HKVSEIVDIONNKB-SBSIVDTGNA-N |
| InChICode |
InChI=1S/C32H41N5O4/c1-6-18(4)28-32(41)36-12-8-11-24(36)30(39)37(28)31(40)27(17(2)3)34-29(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-25(22)35(5)16-20/h7,9-10,13,15,17-18,20,24-25,27-28,33H,6,8,11-12,14,16H2,1-5H3,(H,34,38)/t18-,20+,24-,25+,27-,28-/m0/s1 |
| SMILES |
c1c2c3c(cc1)C1=C[C@H](CN([C@@H]1Cc3c[nH]2)C)C(=O)N[C@H](C(=O)N1[C@H](C(=O)N2[C@H](C1=O)CCC2)[C@@H](C)CC)C(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp L-Pro IPP |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Fungi | Clavicipitaceae | Claviceps purpurea  | Ref. |
|
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