EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H14O5 |
| Net Charge | 0 |
| Average Mass | 238.239 |
| Monoisotopic Mass | 238.08412 |
| SMILES | COc1cc(/C=C/C(=O)O)ccc1OCCO |
| InChI | InChI=1S/C12H14O5/c1-16-11-8-9(3-5-12(14)15)2-4-10(11)17-7-6-13/h2-5,8,13H,6-7H2,1H3,(H,14,15)/b5-3+ |
| InChIKey | YNUMZJCKFQVSRH-HWKANZROSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cinametic acid (CHEBI:134967) is a hydroxycinnamic acid (CHEBI:24689) |
| Synonym | Source |
|---|---|
| transoddi | DrugCentral |
| Manual Xrefs | Databases |
|---|---|
| 649 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| CAS:35703-32-3 | DrugCentral |