RefMet: A Reference set of Metabolite names

(A total of 187176 compounds or isobaric mixtures as of 03/15/25)
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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
RM0038497
1,1,2,2-Tetrachloroethane
1,1,2,2-Tetrachloroethane
6591Organohalogen compoundsOrganohalogen compoundsOrganochloridesC2H2Cl4165.8911
RM0150696
1-Deoxy-D-glucitol
1-Deoxy-D-glucitol
3429Fatty AcylsFatty alcoholsFatty alcoholsC6H14O5166.0841
RM0136343
1-Methylxanthine
1-Methylxanthine
 | MS spectra		80220Nucleic acidsPurinesXanthinesC6H6N4O2166.0491
RM0030044
3-(2-Hydroxyphenyl)propanoic acid
3-(2-Hydroxyphenyl)propanoic acid
873Organic acidsPhenylpropanoidsCinnamic acidsC9H10O3166.0630
RM0135946
3-(3-Hydroxyphenyl)propanoic acid
3-(3-Hydroxyphenyl)propanoic acid
91Organic acidsPhenylpropanoidsCinnamic acidsC9H10O3166.0630
RM0188946
3,4-Dimethoxybenzaldehyde
3,4-Dimethoxybenzaldehyde
8419BenzenoidsPhenolsMethoxyphenolsC9H10O3166.0630
RM0139018
3-(4-Methyl-3-pentenyl)thiophene
3-(4-Methyl-3-pentenyl)thiophene
566107Organoheterocyclic compoundsThiophenesThiophenesC10H14S166.0816
RM0029779
3,4-Methylenedioxybenzoic acid
3,4-Methylenedioxybenzoic acid
7196BenzenoidsBenzenesHydroxybenzoic acidsC8H6O4166.0266
RM0012434
3-Hydroxy-3-phenylpropionic acid
3-Hydroxy-3-phenylpropionic acid
92959Organic acidsPhenylpropanoidsCinnamic acidsC9H10O3166.0630
RM0188168
3-Hydroxy-4-methoxyacetophenone
3-Hydroxy-4-methoxyacetophenone
95693Organic oxygen compoundsAcetophenonesAcetophenonesC9H10O3166.0630
RM0188166
3-Methoxyphenylacetic acid
3-Methoxyphenylacetic acid
15719Organic acidsPhenylpropanoidsCinnamic acidsC9H10O3166.0630
RM0157839
3-Methylxanthine
3-Methylxanthine
 | MS spectra		70639Nucleic acidsPurinesXanthinesC6H6N4O2166.0491
RM0161215
4-Hydroxy-3-nitrosobenzamide
4-Hydroxy-3-nitrosobenzamide
443631BenzenoidsBenzamidesBenzamidesC7H6N2O3166.0378
RM0012435
4-Hydroxyphenyl-2-propionic acid
4-Hydroxyphenyl-2-propionic acid
102526Organic acidsPhenylpropanoidsCinnamic acidsC9H10O3166.0630
RM0040269
4-Methoxyphenylacetic acid
4-Methoxyphenylacetic acid
7690Organic acidsPhenylpropanoidsCinnamic acidsC9H10O3166.0630
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