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(Q82900535)
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English
2-Oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl hexopyranosiduronic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
406.051166656
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₆H₁₃F₃O₉
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canonical SMILES
O=C(O)C1OC(Oc2ccc3c(C(F)(F)F)cc(=O)oc3c2)C(O)C(O)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1=CC2=C(C=C1O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)C(=O)O)O)O)O)OC(=O)C=C2C(F)(F)F
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Identifiers
InChI
InChI=1S/C16H13F3O9/c17-16(18,19)7-4-9(20)27-8-3-5(1-2-6(7)8)26-15-12(23)10(21)11(22)13(28-15)14(24)25/h1-4,10-13,15,21-23H,(H,24,25)/t10-,11-,12+,13+,15+/m0/s1
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InChIKey
MCDDIRXDQVYRLC-RLPMIEJPSA-N
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CAS Registry Number
128095-54-5
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PubChem CID
195556
1 reference
matched by identifier from
InChIKey
InChIKey
MCDDIRXDQVYRLC-RLPMIEJPSA-N
UniChem compound ID
54069655
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50926069
1 reference
matched by identifier from
InChIKey
InChIKey
MCDDIRXDQVYRLC-RLPMIEJPSA-N
DSSTOX compound identifier
DTXCID201354888
0 references
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