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
RM0136637
1,2,3-Propanetricarboxylic acid
1,2,3-Propanetricarboxylic acid
14925Organic acidsCarboxylic acidsTricarboxylic acidsC6H8O6176.0321
RM0188124
(2-Butoxyethoxy)acetic acid
(2-Butoxyethoxy)acetic acid
106312Organic acidsCarboxylic acidsCarboxylic acidsC8H16O4176.1049
RM0153706
2-Isopropylmalic acid
2-Isopropylmalic acid
 | MS spectra		5280523Fatty AcylsFatty acidsHydroxy FAC7H12O5176.0685
RM0189009
3-Chloro-cis,cis-muconic acid
3-Chloro-cis,cis-muconic acid
5280608Fatty AcylsFatty acidsDicarboxylic acidsC6H5ClO4175.9876
RM0189010
3-deoxy-D-glycero-hexo-2,5-diulosonic acid
3-deoxy-D-glycero-hexo-2,5-diulosonic acid
440303CarbohydratesMonosaccharidesSugar acidsC6H8O6176.0321
RM0118115
3-Propylmalic acid
3-Propylmalic acid
439659Organic acidsHydroxy acidsMedium-chain hydroxy acidsC7H12O5176.0685
RM0037426
4-(Hydroxyamino)quinoline N-oxide
4-(Hydroxyamino)quinoline N-oxide
5360001AlkaloidsAnthranilic acid alkaloidsQuinazoline alkaloidsC9H8N2O2176.0586
RM0136819
4-Methylumbelliferone
4-Methylumbelliferone
 | MS spectra		5280567PolyketidesFlavonoidsCoumarinsC10H8O3176.0473
RM0153345
6,8-Dihydroxyoctanoic acid
6,8-Dihydroxyoctanoic acid
5312790Fatty AcylsFatty acidsHydroxy FAC8H16O4176.1049
RM0129879
Ala-Ser
Ala-Ser
1549433Organic acidsAmino acids and peptidesDipeptidesC6H12N2O4176.0797
RM0136075
Allantoic acid
Allantoic acid
203Organic acidsAmino acids and peptidesAmino acidsC4H8N4O4176.0546
RM0132194
Canavanine
Canavanine
 | MS spectra		439202Organic acidsAmino acids and peptidesAmino acidsC5H12N4O3176.0909
RM0037601
Carbamoylaspartate
Carbamoylaspartate
 | MS spectra		93072Organic acidsAmino acids and peptidesAmino acidsC5H8N2O5176.0433
RM0186804
Cinnamyl acetate
Cinnamyl acetate
5282110Organic acidsPhenylpropanoidsCinnamic acidsC11H12O2176.0837
RM0040469
Cotinine
Cotinine
 | MS spectra		854019AlkaloidsPyridine alkaloidsNicotinic acid alkaloidsC10H12N2O176.0950
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