SynCED ID Name
CAS Number
FormulaStructureSources
CHEM003142Malondialdehyde
CAS542-78-9
C3H4O2
Avg mass72.063
FooDB ChemicalsHMDB Contaminants - UrineIARC Carcinogens Group 3T3DB toxins
CHEM003143Decanal
CAS112-31-2
C10H20O
Avg mass156.265
EAFUS ChemicalsFooDB ChemicalsHMDB Contaminants - FecesHMDB Contaminants - UrineHPV EPA ChemicalsSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM003144p-Cresol sulfate
CAS3233-58-7
C7H8O4S
Avg mass188.201
FooDB ChemicalsHMDB Contaminants - UrineT3DB toxins
CHEM0031462-Octenal
CAS2363-89-5
C8H14O
Avg mass126.196
EAFUS ChemicalsFooDB ChemicalsT3DB toxins
CHEM0031472-Nonenal
CAS2463-53-8
C9H16O
Avg mass140.223
EAFUS ChemicalsFooDB ChemicalsHMDB Contaminants - FecesHMDB Contaminants - UrineT3DB toxins
CHEM003148Heptanal
CAS111-71-7
C7H14O
Avg mass114.186
EAFUS ChemicalsFooDB ChemicalsHMDB Contaminants - FecesHPV EPA ChemicalsSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM0031502-Heptenal
CAS2463-63-0
C7H12O
Avg mass112.170
EAFUS ChemicalsFooDB ChemicalsT3DB toxins
CHEM003152Nonanal
CAS124-19-6
C9H18O
Avg mass142.239
EAFUS ChemicalsFooDB ChemicalsHMDB Contaminants - FecesHPV EPA ChemicalsSTOFF IDENT CompoundsT3DB toxinsToxCast & Tox21 Chemicals
CHEM0031534-Hydroxydecenal
CAS73529-64-3
C10H18O2
Avg mass170.249
T3DB toxins
CHEM0031544-Hydroxyhexanal
CAS109710-36-3
C6H10O2
Avg mass114.142
T3DB toxins
CHEM0031554-Hydroxyoctenal
CAS17449-15-9
C8H14O2
Avg mass142.196
T3DB toxins
CHEM003156Alpha-keto-delta-guanidinovaleric acid
CAS3715-10-4
C6H11N3O3
Avg mass173.170
FooDB ChemicalsT3DB toxins
CHEM0031573-Carboxy-4-methyl-5-propyl-2-furan-propanoic acid
CAS86879-39-2
C12H16O5
Avg mass240.252
T3DB toxins
CHEM003158N(6)-Carboxymethyllysine
CAS5746-04-3
C8H16N2O4
Avg mass204.224
T3DB toxins
CHEM003159Dihydroxyphenylalanine
CAS63-84-3
C9H11NO4
Avg mass197.188
FooDB ChemicalsT3DB toxins
CHEM003161Caffeic acid
CAS331-39-5
C9H8O4
Avg mass180.157
Cosmetic ChemicalsFooDB ChemicalsHMDB Contaminants - FecesHMDB Contaminants - UrineIARC Carcinogens Group 2BT3DB toxinsTobacco Smoke CompoundsToxCast & Tox21 Chemicals
CHEM003162Carbamic acid
CAS463-77-4
CH3NO2
Avg mass61.040
FooDB ChemicalsSTOFF IDENT CompoundsT3DB toxinsTobacco Smoke Compounds
CHEM003163Furan
CAS110-00-9
C4H4O
Avg mass68.074
Clean Air Act ChemicalsHMDB Contaminants - UrineHPV EPA ChemicalsIARC Carcinogens Group 2BOSHA Hazardous ChemicalsSTOFF IDENT CompoundsT3DB toxinsTobacco Smoke CompoundsToxCast & Tox21 Chemicals
CHEM003164Mechlorethamine
CAS51-75-2
C5H11Cl2N
Avg mass156.054
Clean Air Act ChemicalsHMDB Contaminants - UrineHPV EPA ChemicalsIARC Carcinogens Group 2ASTOFF IDENT CompoundsT3DB toxinsTobacco Smoke Compounds
CHEM003167Ethylene Oxide
CAS75-21-8
C2H4O
Avg mass44.053
Clean Air Act ChemicalsEAFUS ChemicalsFooDB ChemicalsHPV EPA ChemicalsIARC Carcinogens Group 1OSHA Hazardous ChemicalsSTOFF IDENT CompoundsT3DB toxinsTobacco Smoke Compounds
CHEM003169Acetamide
CAS60-35-5
C2H5NO
Avg mass59.067
Clean Air Act ChemicalsEAFUS ChemicalsFooDB ChemicalsHMDB Contaminants - FecesHPV EPA ChemicalsIARC Carcinogens Group 2BIARC Carcinogens Group 3STOFF IDENT CompoundsT3DB toxinsTobacco Smoke CompoundsToxCast & Tox21 Chemicals
CHEM003170Benzofuran
CAS271-89-6
C8H6O
Avg mass118.133
EAFUS ChemicalsFooDB ChemicalsHPV EPA ChemicalsIARC Carcinogens Group 2BT3DB toxinsToxCast & Tox21 Chemicals
CHEM003172Safrole
CAS94-59-7
C10H10O2
Avg mass162.185
Clean Air Act ChemicalsDEA ChemicalsEAFUS ChemicalsFooDB ChemicalsHPV EPA ChemicalsIARC Carcinogens Group 2BT3DB toxinsTobacco Smoke CompoundsToxCast & Tox21 Chemicals
CHEM003174Diethylamine
CAS71247-25-1
C4H11N
Avg mass73.137
Clean Air Act ChemicalsDEA ChemicalsFooDB ChemicalsHPV EPA ChemicalsOECD HPV ChemicalsSTOFF IDENT CompoundsT3DB toxinsTobacco Smoke CompoundsToxCast & Tox21 Chemicals
CHEM003175N'-nitrosonornicotine
CAS16543-55-8
C9H11N3O
Avg mass177.203
Clean Air Act ChemicalsHPV EPA ChemicalsIARC Carcinogens Group 1T3DB toxinsTobacco Smoke Compounds