SynCED ID Name
CAS Number
FormulaStructureSources
CHEM043694Nonabromodipheylethane (BPE-Br9)
CAS138144-04-4
C14H5Br9
Avg mass892.330
STOFF IDENT Compounds
CHEM10416538-(Perfluorohexyl)-3,6,9,12,15,18,21,24,27,30,33,36‐dodecaoxaoctatriacontan‐1‐ol (HOPAs n=3 m=13)
CASNot Available
C32H53F13O13
Avg mass892.742
CHEM078043Solasulfone
CASNot Available
C30H32N2O14S5
Avg mass892.810
CHEM0442654,4'-bis[(4,6-dianilino-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate
CASNot Available
C44H36N12O6S2
Avg mass892.970
STOFF IDENT Compounds
CHEM2046763',6'-dihydroxy-2',4',5',7'-tetraiodo-5-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one
CASNot Available
C21H7I4NO5S
Avg mass893.000
CHEM076648Sorbitan, tetradodecanoate
CAS93963-93-0
C54H100O9
Avg mass893.385
CHEM211600(e)-5-[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]-3-methyl-5-oxopent-2-enoic acid
CASNot Available
C27H42N7O19P3S
Avg mass893.600
CHEM211601(e)-5-[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]-3-methyl-5-oxopent-3-enoic acid
CASNot Available
C27H42N7O19P3S
Avg mass893.600
CHEM211602S-[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] 2-(5-oxooxolan-2-yl)ethanethioate
CASNot Available
C27H42N7O19P3S
Avg mass893.600
CHEM211603(z)-6-[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]-6-oxohex-3-enoic acid
CASNot Available
C27H42N7O19P3S
Avg mass893.600
CHEM212174S-[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] 2-hydroxycyclohexane-1-carbothioate
CASNot Available
C28H46N7O18P3S
Avg mass893.700
CHEM035061Octanoyl-CoA
CAS1264-52-4
C29H50N7O17P3S
Avg mass893.730
FooDB Chemicals
CHEM214628(e)-3-[4-[(2r,3r,4s,5s,6r)-5-[[(2s,3r,4r,5r)-5-[[(3as,6s,7r,7ar)-7-(carbamoylamino)-2-oxo-1,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazol-6-yl]oxy]-3-(carbamoylamino)-4-hydroxyoxan-2-yl]carbamoylamino]-3-(diaminomethylideneamino)-4-hydroxy-6-methyloxan-2-yl]oxyphenyl]-n-[3-(4-aminobutylamino)propyl]prop-2-enamide
CASNot Available
C37H59N13O13
Avg mass893.900
CHEM214629(3ar,4s,7s,7ar)-4-[(3r,4r,5r,6s)-6-[[(2r,3s,4s,5r,6r)-6-[4-[(e)-3-[3-(4-aminobutylamino)propylamino]-3-oxoprop-1-enyl]phenoxy]-5-(diaminomethylideneamino)-4-hydroxy-2-methyloxan-3-yl]carbamoylamino]-5-(carbamoylamino)-4-hydroxyoxan-3-yl]oxy-7-hydroxy-2-oxo-1,3a,4,6,7,7a-hexahydropyrano[3,4-d]imidazole-3-carboxamide
CASNot Available
C37H59N13O13
Avg mass893.900
CHEM077374Ombitasvir
CAS1258226-87-7
C50H67N7O8
Avg mass894.127
CHEM057537(Perfluoro-13-methyltetradecyl)ethyl dihydrogen phosphate
CAS93857-42-2
C17H6F31O4P1
Avg mass894.155
CHEM2026441,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-tetratriacontafluoroicosane
CASNot Available
C20H8F34
Avg mass894.200
CHEM031931Chlorophyll a
CAS479-61-8
C55H73MgN4O5
Avg mass894.516
FooDB Chemicals
CHEM211639S-[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] 4-acetamidobutanethioate
CASNot Available
C27H45N8O18P3S
Avg mass894.700
CHEM074777Benzoic acid, 3,4,5-tris[[(6-diazo-5,6-dihydro-5-oxo-1-naphthalenyl)sulfonyl]oxy]-, ethyl ester
CAS73003-81-3
C39H22N6O14S3
Avg mass894.810
CHEM2166483-hydroxy-n-[(3r,6s,7r,10s,13s,16s,22r,24r)-24-hydroxy-13-(hydroxymethyl)-7,11,17,20-tetramethyl-16-(3-methylbutan-2-yl)-3-(2-methylpropyl)-2,5,9,12,15,18,21-heptaoxo-10-phenyl-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosan-6-yl]pyridine-2-carboxamide
CASNot Available
C44H62N8O12
Avg mass895.000
CHEM137932Netanasvir
CAS2007900-70-9
C51H58N8O7
Avg mass895.074
CHEM002994Brevetoxin B2
CASNot Available
C50H70O14
Avg mass895.082
FooDB ChemicalsT3DB toxins
CHEM216914(2r)-2-[[(2s)-2-[3-[[(2r)-2-[[(2r)-2-[[(2s)-2-(azepane-1-carbonylamino)-4-methylpentanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]propanoyl]amino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoic acid
CASNot Available
C48H62N8O9
Avg mass895.100
CHEM131876Stibophen
CAS15489-16-4
C12H18Na5O23S4Sb
Avg mass895.200