| Name |
beta,beta-Ergoannam |
| Formula |
C33H43N5O4 |
| Mw |
573.3315049 |
| CAS RN |
97387-95-6 |
| C_ID |
C00011239
, 
|
| InChIKey |
IHDIXBZKTTXKMY-FJHKEZAHNA-N |
| InChICode |
InChI=1S/C33H43N5O4/c1-6-18(3)28(32(41)38-29(19(4)7-2)33(42)37-13-9-12-25(37)31(38)40)35-30(39)21-14-23-22-10-8-11-24-27(22)20(16-34-24)15-26(23)36(5)17-21/h8,10-11,14,16,18-19,21,25-26,28-29,34H,6-7,9,12-13,15,17H2,1-5H3,(H,35,39)/t18-,19-,21-,25-,26-,28+,29+/m1/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@H](C)CC |
| 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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