EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:5690 - Hetisine
| Formula | C20H27NO3 |
| Net Charge | 0 |
| Average Mass | 329.440 |
| Monoisotopic Mass | 329.19909 |
| SMILES | [H][C@@]12C3C[C@@]45CC(=C)[C@H]6[C@H](O)C4C4N3C[C@]1(C)C[C@H](O)C[C@]42[C@]5([H])[C@@H]6O |
| InChI | InChI=1S/C20H27NO3/c1-8-3-19-6-10-15-18(2)4-9(22)5-20(15)16(19)14(24)11(8)13(23)12(19)17(20)21(10)7-18/h9-17,22-24H,1,3-7H2,2H3/t9-,10?,11-,12?,13-,14+,15+,16+,17?,18-,19-,20-/m0/s1 |
| InChIKey | PIWJSAMCEMZIDO-WLSCSOIGSA-N |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Hetisine (CHEBI:5690) is a diterpene alkaloid (CHEBI:23847) |
| Synonym | Source |
|---|---|
| Hetisine | KEGG COMPOUND |