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
RM0108883
1,10-Phenanthroline
1,10-Phenanthroline
 | MS spectra		1318BenzenoidsPhenanthrolinesPhenanthrolinesC12H8N2180.0687
RM0188669
1,4-Benzenedicarboxylic acid, monomethyl ester
1,4-Benzenedicarboxylic acid, monomethyl ester
-BenzenoidsBenzenesBenzoic acid estersC9H8O4180.0423
RM0015072
1D-chiro-Inositol
1D-chiro-Inositol
892Organic oxygen compoundsAlcohols and polyolsInositolsC6H12O6180.0634
RM0186798
2,3-Dihydroxycinnamic acid
2,3-Dihydroxycinnamic acid
5282146Organic acidsPhenylpropanoidsCinnamic acidsC9H8O4180.0423
RM0188940
2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid
2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid
636708BenzenoidsBenzenesPhenylpyruvic acidsC9H8O4180.0423
RM0132231
(2S,5S)-Methionine sulfoximine
(2S,5S)-Methionine sulfoximine
24755488Organic acidsAmino acids and peptidesAmino acidsC5H12N2O3S180.0569
RM0136227
3,4-Dihydroxy-trans-cinnamic acid
3,4-Dihydroxy-trans-cinnamic acid
689043Organic acidsPhenylpropanoidsCinnamic acidsC9H8O4180.0423
RM0156010
3-Hydroxykynurenamine
3-Hydroxykynurenamine
440736Organic oxygen compoundsOrganooxygen compoundsCarbonyl compoundsC9H12N2O2180.0899
RM0041291
3-Methoxybenzenepropanoic acid
3-Methoxybenzenepropanoic acid
66336Organic acidsPhenylpropanoidsCinnamic acidsC10H12O3180.0786
RM0036805
3-tert-Butyl-5-methylcatechol
3-tert-Butyl-5-methylcatechol
66095BenzenoidsBenzenesPhenylpropanesC11H16O2180.1150
RM0020531
4-Hydroxyphenylpyruvic acid
4-Hydroxyphenylpyruvic acid
 | MS spectra		979Organic acidsPhenylpropanoidsCinnamic acidsC9H8O4180.0423
RM0155920
5-Methylthioribose
5-Methylthioribose
439904CarbohydratesMonosaccharidesHexosesC6H12O4S180.0456
RM0136065
Allose
Allose
12285879Organic oxygen compoundsOrganooxygen compoundsOrganooxygen compoundsC6H12O6180.0634
RM0136129
Aspirin
Aspirin
 | MS spectra		2244BenzenoidsBenzenesHydroxybenzoic acidsC9H8O4180.0423
RM0027345
Caffeic acid
Caffeic acid
 | MS spectra		1549111Organic acidsPhenylpropanoidsCinnamic acidsC9H8O4180.0423
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