Accession NumberHMDB04814
Common_Name4-Heptanone
DescriptionIs a volatile organic ketone found in almost all urine samples of normal individuals. (PMID 15996539) It has been hypothesized that arises from in vivo beta-oxidation of 2-ethylhexanoic acid (EHA) from plasticizers, similar to formation of 3-heptanone from valproic acid. (PMID 11282094)
Chemical_IUPAC_NameNot Available
Chemical FormulaC7H14O
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Predicted 1H NMR SpectrumDownload
Predicted 1H NMR PeaklistDownload
Predicted 13C NMR SpectrumDownload
Predicted 13C NMR PeaklistDownload
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