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CHEBI:168061 - 7-hydroxy-6-(3-oxobutyl)-2H-chromen-2-one
| Formula | C13H12O4 |
| Net Charge | 0 |
| Average Mass | 232.235 |
| Monoisotopic Mass | 232.07356 |
| SMILES | CC(=O)CCc1cc2ccc(=O)oc2cc1O |
| InChI | InChI=1S/C13H12O4/c1-8(14)2-3-9-6-10-4-5-13(16)17-12(10)7-11(9)15/h4-7,15H,2-3H2,1H3 |
| InChIKey | CTKANKFBINKGJX-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) |
| 7-hydroxy-6-(3-oxobutyl)-2H-chromen-2-one (CHEBI:168061) is a hydroxycoumarin (CHEBI:37912) |
| IUPAC Name |
|---|
| 7-hydroxy-6-(3-oxobutyl)chromen-2-one |
| Manual Xrefs | Databases |
|---|---|
| 74852397 | ChemSpider |
| HMDB0128959 | HMDB |