EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C10H16O |
| Net Charge | 0 |
| Average Mass | 152.237 |
| Monoisotopic Mass | 152.12012 |
| SMILES | CC1=CCCC(C)(C)C1C=O |
| InChI | InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h5,7,9H,4,6H2,1-3H3 |
| InChIKey | ZVZRJSHOOULAGB-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| Pooled sample (NCIT:C45910) | MetaboLights (MTBLS2128) | ||
| blood plasma (BTO:0000131) | MetaboLights (MTBLS2128) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| alpha-Cyclocitral (CHEBI:171968) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde |
| Manual Xrefs | Databases |
|---|---|
| 84960 | ChemSpider |
| HMDB0035706 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:432-24-6 | ChemIDplus |