EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C10H14O3 |
| Net Charge | 0 |
| Average Mass | 182.219 |
| Monoisotopic Mass | 182.09429 |
| SMILES | CC1CC2CCCC(O)=C2C(=O)O1 |
| InChI | InChI=1S/C10H14O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h6-7,11H,2-5H2,1H3 |
| InChIKey | XQHOYOKXFNTNQZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| MLS002706482 (CHEBI:182340) is a benzopyran (CHEBI:22727) |
| IUPAC Name |
|---|
| 8-hydroxy-3-methyl-3,4,4a,5,6,7-hexahydroisochromen-1-one |
| Manual Xrefs | Databases |
|---|---|
| 28504855 | ChemSpider |