EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H12O4 |
| Net Charge | 0 |
| Average Mass | 232.235 |
| Monoisotopic Mass | 232.07356 |
| SMILES | CC#CC#CC#CC#CC(O)C(O)C(O)CO |
| InChI | InChI=1S/C13H12O4/c1-2-3-4-5-6-7-8-9-11(15)13(17)12(16)10-14/h11-17H,10H2,1H3 |
| InChIKey | CBKQFMQQQCEGGI-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3S,4S)-5,7,9,11-Tridecatetrayne-1,2,3,4-tetrol (CHEBI:174190) is a long-chain fatty alcohol (CHEBI:17135) |
| IUPAC Name |
|---|
| trideca-5,7,9,11-tetrayne-1,2,3,4-tetrol |
| Manual Xrefs | Databases |
|---|---|
| 35014690 | ChemSpider |
| HMDB0038911 | HMDB |