RefMet: A Reference set of Metabolite names

(A total of 187184 compounds or isobaric mixtures as of 04/04/25)
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InChIKey: Mol. Formula: Exact mass:: +/- Daltons
Name: Super class(?): Main class(?): Sub class(?):
RefMet ID Metabolite name | MS spectra PubChem CID Super class Main class Sub class Formula Exact mass
RM0152706
2,2-Dimethylglutaric acid
2,2-Dimethylglutaric acid
12681Fatty AcylsFatty acidsDicarboxylic acidsC7H12O4160.0736
RM0155767
2-Hydroxyoctanoic acid
2-Hydroxyoctanoic acid
 | MS spectra		94180Fatty AcylsFatty acidsHydroxy FAC8H16O3160.1099
RM0050652
2-Methyl-4-propyl-1,3-oxathiane
2-Methyl-4-propyl-1,3-oxathiane
101010Organoheterocyclic compoundsOxathianesOxathianesC8H16OS160.0922
RM0140006
2R-Hydroxycaprylic acid
2R-Hydroxycaprylic acid
5312860Fatty AcylsFatty acidsHydroxy FAC8H16O3160.1099
RM0139998
3-Hydroxyoctanoic acid
3-Hydroxyoctanoic acid
26613Fatty AcylsFatty acidsHydroxy FAC8H16O3160.1099
RM0149823
3-Hydroxyvalproic acid
3-Hydroxyvalproic acid
134459Fatty AcylsFatty acidsHydroxy FAC8H16O3160.1099
RM0153105
3-Methyladipic acid
3-Methyladipic acid
 | MS spectra		6999745Fatty AcylsFatty acidsDicarboxylic acidsC7H12O4160.0736
RM0139480
3S-Hydroxyoctanoic acid
3S-Hydroxyoctanoic acid
11367166Fatty AcylsFatty acidsHydroxy FAC8H16O3160.1099
RM0005566
4-Methylcoumarin
4-Methylcoumarin
 | MS spectra		11833PolyketidesFlavonoidsCoumarinsC10H8O2160.0524
RM0073863
7-Hydroxyoctanoic acid
7-Hydroxyoctanoic acid
 | MS spectra		167627Fatty AcylsFatty acidsHydroxy FAC8H16O3160.1099
RM0012454
7-Methylcoumarin
7-Methylcoumarin
17131PolyketidesFlavonoidsCoumarinsC10H8O2160.0524
RM0153205
8-Hydroxyoctanoic acid
8-Hydroxyoctanoic acid
69820Fatty AcylsFatty acidsHydroxy FAC8H16O3160.1099
RM0022234
Ala-Ala
Ala-Ala
5484352Organic acidsAmino acids and peptidesDipeptidesC6H12N2O3160.0848
RM0136285
Anatabine
Anatabine
11388Organic nitrogen compoundsAminesAralkylaminesC10H12N2160.1000
RM0129825
D-Alanyl-D-Alanine
D-Alanyl-D-Alanine
6992112Organic acidsAmino acids and peptidesDipeptidesC6H12N2O3160.0848
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