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
RM0171401
1-Methylpiperazine
1-Methylpiperazine
53167Organoheterocyclic compoundsPiperazinesPiperazinesC5H12N2100.1000
RM0051116
2,3-Pentanedione
2,3-Pentanedione
11747Organic oxygen compoundsCarbonyl compoundsOther carbonyl compoundsC5H8O2100.0524
RM0139500
2-Oxohexane
2-Oxohexane
11583Fatty AcylsHydrocarbonsOxygenated hydrocarbonsC6H12O100.0888
RM0152802
3-Ethylpentane
3-Ethylpentane
12048Fatty AcylsHydrocarbonsHydrocarbonsC7H16100.1252
RM0153393
3-Hexanone
3-Hexanone
11509Fatty AcylsHydrocarbonsOxygenated hydrocarbonsC6H12O100.0888
RM0156021
4-Methylpentanal
4-Methylpentanal
129Organic oxygen compoundsCarbonyl compoundsAlpha-hydrogen aldehydesC6H12O100.0888
RM0030304
5-Valerolactone
5-Valerolactone
10953Organoheterocyclic compoundsDelta valerolactonesDelta valerolactonesC5H8O2100.0524
RM0153613
Allyl acetic acid
Allyl acetic acid
61138Fatty AcylsFatty acidsUnsaturated FAC5H8O2100.0524
RM0153269
Angelic acid
Angelic acid
643915Fatty AcylsFatty acidsBranched FAC5H8O2100.0524
RM0139437
beta,beta-Dimethyl acrylic acid
beta,beta-Dimethyl acrylic acid
10931Fatty AcylsFatty acidsBranched FAC5H8O2100.0524
RM0074130
Caproaldehyde
Caproaldehyde
6184Fatty AcylsFatty aldehydesFatty aldehydesC6H12O100.0888
RM0022454
Cyclohexanol
Cyclohexanol
7966Organic oxygen compoundsAlcohols and polyolsCyclohexanolsC6H12O100.0888
RM0072614
Ethylpentane
-Fatty AcylsHydrocarbonsHydrocarbonsC7H16100.1252
RM0140018
gamma-Valerolactone
gamma-Valerolactone
7921Fatty AcylsFatty estersFatty lactonesC5H8O2100.0524
RM0042692
Glutaral
Glutaral
3485Organic oxygen compoundsCarbonyl compoundsAlpha-hydrogen aldehydesC5H8O2100.0524
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