| Name |
8-Hydroxyergotamine |
| Formula |
C33H35N5O6 |
| Mw |
597.25873389 |
| CAS RN |
72170-28-6 |
| C_ID |
C00011223
, 
|
| InChIKey |
JGOTUAOHJNQELB-WYZMVIABNA-N |
| InChICode |
InChI=1S/C33H35N5O6/c1-31(30(41)38-25(14-19-8-4-3-5-9-19)28(39)37-13-7-12-26(37)33(38,43)44-31)35-29(40)32(42)16-22-21-10-6-11-23-27(21)20(17-34-23)15-24(22)36(2)18-32/h3-6,8-11,16-17,24-26,34,42-43H,7,12-15,18H2,1-2H3,(H,35,40)/t24-,25+,26+,31-,32+,33+/m1/s1 |
| SMILES |
c1c2c3c(cc1)C1=C[C@](CN([C@@H]1Cc3c[nH]2)C)(C(=O)N[C@]1(C(=O)N2[C@@](O1)([C@H]1N(C(=O)[C@@H]2Cc2ccccc2)CCC1)O)C)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp L-Pro L-Ala IPP |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Fungi | Clavicipitaceae | Claviceps purpurea  | Ref. |
|
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