| Name |
Ergotamine |
| Formula |
C33H35N5O5 |
| Mw |
581.26381927 |
| CAS RN |
113-15-5 |
| C_ID |
C00001724
, 
|
| InChIKey |
XCGSFFUVFURLIX-TZWMYICKNA-N |
| InChICode |
InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1 |
| SMILES |
[C@H]12[C@]3(N([C@H](C(=O)N1CCC2)Cc1ccccc1)C(=O)[C@@](O3)(NC(=O)[C@@H]1C=C2[C@H](N(C1)C)Cc1c3c2cccc3[nH]c1)C)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Bacteria | Nocardiaceae | Rhodococcus erythropolis MTHt3 | Ref. |
| Fungi | Clavicipitaceae | Claviceps paspali | Ref. |
| Fungi | Clavicipitaceae | Claviceps purpurea  | Ref. |
| Plantae | Convolvulaceae | Argyreia nervosa | Ref. |
|
|
zoom in
| Organism | Claviceps purpurea |
|---|
| Reference | Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter20 |
|---|
|
