EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:169601 - 5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid
| Formula | C12H20O4 |
| Net Charge | 0 |
| Average Mass | 228.288 |
| Monoisotopic Mass | 228.13616 |
| SMILES | CCCCCCCC1CC(C(=O)O)C(=O)O1 |
| InChI | InChI=1S/C12H20O4/c1-2-3-4-5-6-7-9-8-10(11(13)14)12(15)16-9/h9-10H,2-8H2,1H3,(H,13,14) |
| InChIKey | FCCIDBCBPCNABK-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) |
| 5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid (CHEBI:169601) is a γ-lactone (CHEBI:37581) |
| IUPAC Name |
|---|
| 5-heptyl-2-oxooxolane-3-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 13352546 | ChemSpider |
| HMDB0030994 | HMDB |