EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H24N2 |
| Net Charge | 0 |
| Average Mass | 304.437 |
| Monoisotopic Mass | 304.19395 |
| SMILES | [C-]#[N+][C@@H]1[C@H](c2cnc3ccccc23)[C@@H](C(=C)C)CC[C@@]1(C)C=C |
| InChI | InChI=1S/C21H24N2/c1-6-21(4)12-11-15(14(2)3)19(20(21)22-5)17-13-23-18-10-8-7-9-16(17)18/h6-10,13,15,19-20,23H,1-2,11-12H2,3-4H3/t15-,19+,20-,21-/m1/s1 |
| InChIKey | KGWATBYKCMCFLC-CGRMTHRGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Hapalosiphon welwitschii (ncbitaxon:162986) | - | DOI (10.1021/jo00226a009) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 12-epi-hapalindole C isonitrile (CHEBI:222284) is a monoterpenoid (CHEBI:25409) |
| IUPAC Name |
|---|
| 3-[(1S,2R,3S,6S)-3-ethenyl-2-isocyano-3-methyl-6-prop-1-en-2-ylcyclohexyl]-1H-indole |