EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H12O2S |
| Net Charge | 0 |
| Average Mass | 220.293 |
| Monoisotopic Mass | 220.05580 |
| SMILES | O=C1CC2OCCCC2=C1c1cccs1 |
| InChI | InChI=1S/C12H12O2S/c13-9-7-10-8(3-1-5-14-10)12(9)11-4-2-6-15-11/h2,4,6,10H,1,3,5,7H2 |
| InChIKey | FCVWHDAKNZMSON-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Chrycorin (CHEBI:174112) is a oxanes (CHEBI:46942) |
| IUPAC Name |
|---|
| 5-thiophen-2-yl-3,4,7,7a-tetrahydro-2H-cyclopenta[b]pyran-6-one |
| Manual Xrefs | Databases |
|---|---|
| HMDB0035149 | HMDB |
| 9610821 | ChemSpider |