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CHEBI:228725 - 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid
| Formula | C13H14O5 |
| Net Charge | 0 |
| Average Mass | 250.250 |
| Monoisotopic Mass | 250.08412 |
| SMILES | O=C(O)CCC(=O)c1ccc2c(c1)OCCCO2 |
| InChI | InChI=1S/C13H14O5/c14-10(3-5-13(15)16)9-2-4-11-12(8-9)18-7-1-6-17-11/h2,4,8H,1,3,5-7H2,(H,15,16) |
| InChIKey | RQYNFIARXFWNDM-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | urine (BTO:0001419) | MetaboLights (MTBLS8662) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid (CHEBI:228725) is a butanone (CHEBI:22951) |
| IUPAC Name |
|---|
| 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid |