EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:177504 - Butylphthalide
| Formula | C12H14O2 |
| Net Charge | 0 |
| Average Mass | 190.242 |
| Monoisotopic Mass | 190.09938 |
| SMILES | CCCCC1OC(=O)c2ccccc21 |
| InChI | InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3 |
| InChIKey | HJXMNVQARNZTEE-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Sus scrofa (ncbitaxon:9823) | sausage (ENVO:00002166) | MetaboLights (MTBLS2871) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Butylphthalide (CHEBI:177504) is a benzofurans (CHEBI:35259) |
| IUPAC Name |
|---|
| 3-butyl-3H-2-benzouran-1-one |