EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | (C5H8)n.C16H16O3 |
| Net Charge | 0 |
| Average Mass | 324.420 |
| Monoisotopic Mass | 324.17254 |
| SMILES | CC(C)=CCC/C(C)=C/CC12OC1(C)C(=O)c1ccccc1C2=O |
| InChI | InChI=1S/C21H24O3/c1-14(2)8-7-9-15(3)12-13-21-19(23)17-11-6-5-10-16(17)18(22)20(21,4)24-21/h5-6,8,10-12H,7,9,13H2,1-4H3/b15-12+ |
| InChIKey | ZEACJJRPAPKYKW-NTCAYCPXSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2,3-epoxymenaquinone (CHEBI:138846) is a menaquinones (CHEBI:25185) |
| Manual Xrefs | Databases |
|---|---|
| C20265 | KEGG COMPOUND |