RefMet: A Reference set of Metabolite names

(A total of 187184 compounds or isobaric mixtures as of 04/25/25)
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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
RM0073934
2,3-Dihydroxy-5-methylthio-4-pentenoic acid
2,3-Dihydroxy-5-methylthio-4-pentenoic acid
154603736Fatty AcylsFatty acidsHydroxy FAC6H10O4S178.0300
RM0140662
2-Dehydro-3-deoxy-D-gluconic acid
2-Dehydro-3-deoxy-D-gluconic acid
161227Fatty AcylsFatty acidsHydroxy FAC6H10O6178.0477
RM0153399
3,3'-Thiobispropanoic acid
3,3'-Thiobispropanoic acid
8096Fatty AcylsFatty acidsDicarboxylic acidsC6H10O4S178.0300
RM0037031
3,5-Dichlorocatechol
3,5-Dichlorocatechol
26173BenzenoidsPhenolsCatecholsC6H4Cl2O2177.9588
RM0188171
3-Methoxycinnamic acid
3-Methoxycinnamic acid
 | MS spectra		637668Organic acidsPhenylpropanoidsCinnamic acidsC10H10O3178.0630
RM0037544
4-Amino-7-chloroquinoline
4-Amino-7-chloroquinoline
94711Organoheterocyclic compoundsAminoquinolinesAminoquinolinesC9H7ClN2178.0298
RM0136151
4-Methoxycinnamic acid
4-Methoxycinnamic acid
 | MS spectra		699414Organic acidsPhenylpropanoidsCinnamic acidsC10H10O3178.0630
RM0136083
4-Oxo-4-(3-pyridyl)-butanamide
4-Oxo-4-(3-pyridyl)-butanamide
435AlkaloidsPyridine alkaloidsNicotinic acid alkaloidsC9H10N2O2178.0742
RM0049337
5-Phenylvaleric acid
5-Phenylvaleric acid
16757BenzenoidsBenzenesOther benzenesC11H14O2178.0994
RM0153650
8S-Hydroxy-2-decene-4,6-diynoic acid
8S-Hydroxy-2-decene-4,6-diynoic acid
9543620Fatty AcylsFatty acidsUnsaturated FAC10H10O3178.0630
RM0052832
Aesculetin
Aesculetin
 | MS spectra		5281416PolyketidesFlavonoidsCoumarinsC9H6O4178.0266
RM0136636
Allitridin
Allitridin
16315Organosulfur compoundsOrganic trisulfidesOrganic trisulfidesC6H10S3177.9945
RM0003538
Aminochloroquinoline
-Organoheterocyclic compoundsAminoquinolinesAminoquinolinesC9H7ClN2178.0298
RM0021388
Anthracene
Anthracene
 | MS spectra		8418PolyketidesAromatic polyketidesAnthracenes and phenanthrenesC14H10178.0782
RM0188954
Arsenobetaine
Arsenobetaine
 | MS spectra		47364Organometallic compoundsOrganometallic compoundsOrganoarsenic compoundsC5H11AsO2177.9975
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