Details of Ergotamine
| IUPAC | (6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide |
| Canonical Smiles | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C |
| Inchi | XCGSFFUVFURLIX-VFGNJEKYSA-N |
| PubChem ID | 8223 |
| Smiles | OC1COC(OC2COC(O)C(O)C2O)C(O)C1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/OC1COC%28OC2COC%28O%29C%28O%29C2O%29C%28O%29C1O/file?format=sdf&get3d=True -- OC1COC%28OC2COC%28O%29C%28O%29C2O%29C%28O%29C1O could not be loaded.
| Class | Ergot alkaloids |
| Super Class | Tryptophan alkaloids |
| Pathways | Alkaloids |