EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C9H12O3 |
| Net Charge | 0 |
| Average Mass | 168.192 |
| Monoisotopic Mass | 168.07864 |
| SMILES | CCCC(=O)OCc1ccco1 |
| InChI | InChI=1S/C9H12O3/c1-2-4-9(10)12-7-8-5-3-6-11-8/h3,5-6H,2,4,7H2,1H3 |
| InChIKey | IXISGRHWGVGCAK-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) |
| 2-Furanylmethyl butanoate (CHEBI:168839) is a fatty acid ester (CHEBI:35748) |
| IUPAC Name |
|---|
| uran-2-ylmethyl butanoate |
| Manual Xrefs | Databases |
|---|---|
| 55114 | ChemSpider |
| HMDB0037729 | HMDB |
| LMFA07010714 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| CAS:623-21-2 | ChemIDplus |