EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:168976 - 4-[(2-Methyl-3-furanyl)thio]-5-nonanone
| Formula | C14H22O2S |
| Net Charge | 0 |
| Average Mass | 254.395 |
| Monoisotopic Mass | 254.13405 |
| SMILES | CCCCC(=O)C(CCC)Sc1ccoc1C |
| InChI | InChI=1S/C14H22O2S/c1-4-6-8-12(15)14(7-5-2)17-13-9-10-16-11(13)3/h9-10,14H,4-8H2,1-3H3 |
| InChIKey | PEYZZTQOVLTVHN-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[(2-Methyl-3-furanyl)thio]-5-nonanone (CHEBI:168976) is a aryl sulfide (CHEBI:35683) |
| IUPAC Name |
|---|
| 4-(2-methyluran-3-yl)sulanylnonan-5-one |
| Manual Xrefs | Databases |
|---|---|
| 56002 | ChemSpider |
| HMDB0037141 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:61295-50-9 | ChemIDplus |