EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H20O2 |
| Net Charge | 0 |
| Average Mass | 184.279 |
| Monoisotopic Mass | 184.14633 |
| SMILES | C=CC(CCCCCC)OC(C)=O |
| InChI | InChI=1S/C11H20O2/c1-4-6-7-8-9-11(5-2)13-10(3)12/h5,11H,2,4,6-9H2,1,3H3 |
| InChIKey | PUWRLDPHAKKTKR-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| blood plasma (BTO:0000131) | MetaboLights (MTBLS2128) | ||
| Pooled sample (NCIT:C45910) | MetaboLights (MTBLS2128) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (x)-1-Nonen-3-yl acetate (CHEBI:172068) is a carboxylic ester (CHEBI:33308) |
| IUPAC Name |
|---|
| non-1-en-3-yl acetate |
| Manual Xrefs | Databases |
|---|---|
| 148120 | ChemSpider |
| HMDB0037106 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:31795-37-6 | ChemIDplus |