ChEBI formula mismatches

Flow objects with a known molecular formula where at least one linked ChEBI record has a different formula (similarity score < 0.55). These are candidates for incorrect ChEBI links that survived the CAS cross-check (e.g. a ChEBI record with no CAS of its own, or a borderline stoichiometry match).

16 flow objects with at least one mismatch — page 1 of 1

Flow Object Name Flow Formula Mismatched ChEBI links
fo-5a379a20620f9d3d 2,2',3,3',4-Pentachlorobiphenyl C12H5Cl5
ChEBI ID ChEBI Label ChEBI Formula ChEBI CAS Score
CHEBI:63933 Aroclor 1254 C12X10 11097-69-1 0.000
fo-355d418e8901af91 Hydrogen-3 H2
ChEBI ID ChEBI Label ChEBI Formula ChEBI CAS Score
CHEBI:29298 ditritium T2 10028-17-8 0.000
fo-daa62373c13ee11a Carbon-14 CH4
ChEBI ID ChEBI Label ChEBI Formula ChEBI CAS Score
CHEBI:36927 carbon-14 atom [14C] 14762-75-5 0.200
fo-e8cf00dfce887bc8 Ammonium Carbonate CH8N2O3
ChEBI ID ChEBI Label ChEBI Formula ChEBI CAS Score
CHEBI:229630 ammonium carbonate CO3.2H4N 506-87-6 0.372
fo-25de90dc152b7836 Ammonium oxalate C2H8N2O4
ChEBI ID ChEBI Label ChEBI Formula ChEBI CAS Score
CHEBI:91241 ammonium oxalate C2O4.2H4N 1113-38-8 0.393
fo-1759c87453138c43 Diammonium citrate C6H14N2O7
ChEBI ID ChEBI Label ChEBI Formula ChEBI CAS Score
CHEBI:63076 diammonium citrate C6H6O7.2H4N 3012-65-5 0.432
fo-f5fb4c2f20b1b0bc Trisodium Nitrilotriacetate C6H6NNa3O6
ChEBI ID ChEBI Label ChEBI Formula ChEBI CAS Score
CHEBI:132766 sodium nitrilotriacetate C6H6NO6.3Na 5064-31-3 0.455
fo-b18ab54362ca8787 Nabam C4H6N2Na2S4
ChEBI ID ChEBI Label ChEBI Formula ChEBI CAS Score
CHEBI:81934 nabam C4H6N2S4.2Na 142-59-6 0.459
fo-62e540090b0d2a5f Disodium hydroxyethyliminodiacetate C6H9NNa2O5
ChEBI ID ChEBI Label ChEBI Formula ChEBI CAS Score
CHEBI:182027 Glycine, N-(carboxymethyl)-N-(2-hydroxyethyl)-, disodium salt C6H9NO5.2Na 135-37-5 0.464
fo-57f9ee740d4a1dc5 N,N'-1,2-ethanediylbis[N-(carboxymethyl)glycine], disodium salt C10H14N2Na2O8
ChEBI ID ChEBI Label ChEBI Formula ChEBI CAS Score
CHEBI:64734 EDTA disodium salt (anhydrous) C10H14N2O8.2Na 139-33-3 0.470
fo-d803442dfbc0ab23 Bentone Al2H4O9Si2
ChEBI ID ChEBI Label ChEBI Formula ChEBI CAS Score
CHEBI:140503 kaolin Al2O7Si2.2H2O 1332-58-7 0.471
fo-24053a46be030d7c Tripotassium Citrate C6H5K3O7
ChEBI ID ChEBI Label ChEBI Formula ChEBI CAS Score
CHEBI:64733 potassium citrate (anhydrous) C6H5O7.3K 866-84-2 0.475
fo-1e432ef9469a6fd2 1,2-dimethylhydrazine Dihydrochloride C2H10Cl2N2
ChEBI ID ChEBI Label ChEBI Formula ChEBI CAS Score
CHEBI:73759 1,2-dimethylhydrazine dihydrochloride C2H8N2.2HCl 306-37-6 0.478
fo-919a808298c00104 Eosin C20H6Br4Na2O5
ChEBI ID ChEBI Label ChEBI Formula ChEBI CAS Score
CHEBI:52053 eosin YS dye C20H6Br4O5.2Na 17372-87-1 0.509
fo-be90d592db2dc7b1 Erythrosine sodium C20H6I4Na2O5
ChEBI ID ChEBI Label ChEBI Formula ChEBI CAS Score
CHEBI:61000 erythrosin B C20H6I4O5.2Na 16423-68-0 0.509
fo-1872bfcde16d9931 Etidronate disodium C2H6Na2O7P2
ChEBI ID ChEBI Label ChEBI Formula ChEBI CAS Score
CHEBI:4906 etidronate disodium C2H6O7P2.2Na 7414-83-7 0.526