EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C9H12O3 |
| Net Charge | 0 |
| Average Mass | 168.192 |
| Monoisotopic Mass | 168.07864 |
| SMILES | C[C@H](O)[C@@H](O)C#CC#CCCO |
| InChI | InChI=1S/C9H12O3/c1-8(11)9(12)6-4-2-3-5-7-10/h8-12H,5,7H2,1H3/t8-,9-/m0/s1 |
| InChIKey | AESKCQSUIOKQIH-IUCAKERBSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (7S,8S)-Nona-3,5-diyne-1,7,8-triol (CHEBI:204480) is a aliphatic alcohol (CHEBI:2571) |
| IUPAC Name |
|---|
| (7S,8S)-nona-3,5-diyne-1,7,8-triol |
| Manual Xrefs | Databases |
|---|---|
| 78440993 | ChemSpider |