EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H10O2S |
| Net Charge | 0 |
| Average Mass | 206.266 |
| Monoisotopic Mass | 206.04015 |
| SMILES | COC(=O)/C=C/C#Cc1ccc(C)s1 |
| InChI | InChI=1S/C11H10O2S/c1-9-7-8-10(14-9)5-3-4-6-11(12)13-2/h4,6-8H,1-2H3/b6-4+ |
| InChIKey | OZOCRDZZSOSJCJ-GQCTYLIASA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Methyl (Z)-5-(5-methyl-2-thienyl)-2-penten-4-ynoate (CHEBI:174021) is a fatty acid ester (CHEBI:35748) |
| IUPAC Name |
|---|
| methyl (E)-5-(5-methylthiophen-2-yl)pent-2-en-4-ynoate |
| Manual Xrefs | Databases |
|---|---|
| 30777037 | ChemSpider |
| HMDB0033995 | HMDB |