EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H16O4 |
| Net Charge | 0 |
| Average Mass | 236.267 |
| Monoisotopic Mass | 236.10486 |
| SMILES | COc1c(C(=O)O)ccc2c1CCC(C)(C)O2 |
| InChI | InChI=1S/C13H16O4/c1-13(2)7-6-8-10(17-13)5-4-9(12(14)15)11(8)16-3/h4-5H,6-7H2,1-3H3,(H,14,15) |
| InChIKey | LJMFGBZVIQCIAV-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid (CHEBI:93694) is a 1-benzopyran (CHEBI:38443) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4177 | LINCS |