Metabolite IDMetabolite NameMolecular FormulaAverage MassStructure
BASm00086191-hexadecanoyl-2-(7-oxoheptanoyl)-sn-glycero-3-phosphocholineC31H60NO9P621.784
BASm00097072-(methylsulfanyl)acetaldehydeC3H6OS90.144
BASm0009809(4S)-4-(5,5-dimethylcyclohex-1-en-1-yl)cyclohex-1-ene-1-carbaldehydeC15H22O218.335
BASm00098157-deoxyloganetic aldehydeC10H14O3182.217
BASm0000297fluoroacetaldehydeC2H3FO62.043
BASm0000308acetaldehydeC2H4O44.0526
BASm0000356perillyl aldehydeC10H14O150.221
BASm0000503L-rhamnoseC6H12O5164.1565
BASm000061916-epivellosimineC19H20N2O292.3749
BASm0000758polyneuridine aldehydeC21H22N2O3350.418
BASm0000764formaldehydeCH2O30.026
BASm0001155secologaninC17H24O10388.3665
BASm0001174vellosimineC19H20N2O292.1576
BASm00117983-(2-aminophenyl)-3-oxopropanalNot AvailableNot Available
BASm0011799spermine dialdehydeC10H22N2O2202.297
BASm0011800spermine monoaldehydeC10H26N3O204.336
BASm0011802N-amidino-(2R)-hydroxypyrrolidineNot AvailableNot Available
BASm0012829N-(4-oxobutylpyrrolinium) ionNot AvailableNot Available
BASm0013126norfluorocurarineC19H20N2O292.382
BASm001312718-hydroxynorfluorocurarineC19H20N2O2308.381
BASm0013128(19E)-cur-19-en-17-alC19H22N2O294.398
BASm0001891an aromatic aldehydeNot AvailableNot Available
BASm0001912furfuralC5H4O296.0841
BASm00020823-phenylpropanalC9H10O134.1751
BASm0002223(1S)-1-hydroxy-23-oxo-24,25,26,27-tetranorcalciolC23H34O3358.522
BASm00040501-hexadecanoyl-2-(9-oxononanoyl)-sn-glycero-3-phosphocholineC33H64NO9P649.838
BASm0004396prosolanapyrone IIIC18H22O4302.37
BASm0004460marneralC30H50O426.729
BASm00044749beta-pimara-7,15-dien-19-alC20H30O286.459
BASm0004607(+)-artemisinic aldehydeC15H22O218.34
BASm0004608(11R)-dihydroartemisinic aldehydeC15H24O220.3505
BASm0005233a 2,3-saturated aldehydeNot AvailableNot Available
BASm00063261-hexadecanoyl-2-(5-oxopentanoyl)-sn-glycero-3-phosphocholineC29H56NO9P593.739
BASm0007512uridine-5'-aldehydeC9H10N2O6242.187
BASm0007609formylthiopheneC5H4OS112.15
BASm0007651furan-3-carbaldehydeC5H4O296.085
BASm00076523-formylthiopheneC5H4OS112.15

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