SynCED ID Name
CAS Number
FormulaStructureSources
CHEM035421Lactyl-CoA
CAS1926-57-4
C24H40N7O18P3S
Avg mass839.597
FooDB Chemicals
CHEM118845Perfluoro(4-[(4-ethyl-3,4-dimethylhex-2-en-2-yl)oxy])benzene-1-sulfonate tributylammonium
CASNot Available
C28H32F19NO4S
Avg mass839.600
CHEM2077932-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxoacetic acid
CASNot Available
C23H36N7O19P3S
Avg mass839.600
CHEM209132S-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-hydroxypropanethioate
CASNot Available
C24H40N7O18P3S
Avg mass839.600
CHEM065825Oxpoconazole fumerate
CASNot Available
C19H24Cl1N3O2
Avg mass839.810
CHEM2163191-[(3r)-3-[2-[4-hydroxy-1-[(2r,3s)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidin-4-yl]phenoxy]butyl]cyclobutane-1-carboxylic acid
CASNot Available
C41H47F6N3O7S
Avg mass839.900
CHEM216631N-[9-[(2r,4s,5r)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-6-oxo-1h-purin-2-yl]-2-methylpropanamide
CASNot Available
C44H54N7O8P
Avg mass839.900
CHEM216505Methyl (1r,2s,4s)-4-[(2r,4s,5s,6s)-4-(dimethylamino)-5-[(2s,4s,5s,6s)-4-hydroxy-6-methyl-5-[(2r,6s)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1h-tetracene-1-carboxylate
CASNot Available
C43H53NO16
Avg mass839.900
CHEM132567-TOPВ 1288.00
CAS1630202-02-6
C43H49N7O9S
Avg mass839.970
CHEM2164463-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(9h-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CASNot Available
C42H65NO16
Avg mass840.000
CHEM133202Padeliporfin
CAS759457-82-4
C37H43N5O9PdS
Avg mass840.260
CHEM10419914-(Perfluorododecyl)-3,6,9,12-tetraoxatetradecanol (HOPAs n=6 m=5)
CASNot Available
C22H21F25O5
Avg mass840.365
CHEM044002Buckyballs (Fullerene C-70)
CAS115383-22-7
C70
Avg mass840.770
STOFF IDENT Compounds
CHEM2161912-[[5-[5-(dimethylamino)-3-hydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]acetic acid
CASNot Available
C40H44N2O18
Avg mass840.800
CHEM107792Fluorescent Brightener 208
CAS24565-13-7
C36H34N12Na2O6S2
Avg mass840.850
CHEM216634(3s)-4-[[(2s)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-[[(2s)-2-[[(2s)-3-(1h-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-6-[(2-methylphenyl)carbamoylamino]hexanoyl]amino]-4-oxobutanoic acid
CASNot Available
C44H56N8O9
Avg mass841.000
CHEM216520N-[(1r,2r,3r,6r,8r,9r,10r,13e,16s,18r)-9-[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-13-[(6-pyrazol-1-ylpyridin-3-yl)methoxyimino]-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide
CASNot Available
C43H64N6O11
Avg mass841.000
CHEM133689Modithromycin
CAS736992-12-4
C43H64N6O11
Avg mass841.016
CHEM098364[Silanetetrayltetrakis(oxycyclohexylidene)]tetrakis[phenylmethanone]
CASNot Available
C52H60O8Si
Avg mass841.129
CHEM2164042-[(9s)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-n-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]acetamide
CASNot Available
C42H45ClN8O7S
Avg mass841.400
CHEM058726Black PN
CASNot Available
C28H21N5O14S4
Avg mass841.670
CHEM086133Triisooctyl 2,2',2''-[(octylstannylidyne)tris(thio)]triacetate
CASNot Available
C38H74O6S3Sn
Avg mass841.890
CHEM019305Carbomycin A
CAS4564-87-8
C42H67NO16
Avg mass841.979
ToxCast & Tox21 Chemicals
CHEM216228(3s)-4-[[(2s)-1-[[(2s)-1-[[2-[[(2s)-1-[[(2s)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(3-carboxypropanoylamino)-4-oxobutanoic acid
CASNot Available
C40H55N7O11S
Avg mass842.000
CHEM002117Azaspiracid
CAS214899-21-5
C47H71NO12
Avg mass842.066
FooDB ChemicalsSTOFF IDENT CompoundsT3DB toxins