EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C8H6O |
| Net Charge | 0 |
| Average Mass | 118.135 |
| Monoisotopic Mass | 118.04186 |
| SMILES | C#CC#CC=C=CCO |
| InChI | InChI=1S/C8H6O/c1-2-3-4-5-6-7-8-9/h1,5,7,9H,8H2 |
| InChIKey | MFQBYQJLDHIYCH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| xi-2,3-Octadiene-5,7-diyn-1-ol (CHEBI:173243) is a aliphatic alcohol (CHEBI:2571) |
| Manual Xrefs | Databases |
|---|---|
| HMDB0040549 | HMDB |
| 30777491 | ChemSpider |