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(Q82476811)
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English
2-Oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl beta-D-glucopyranoside
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
392.0719021
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
7-(beta-D-Galactopyranosyloxy)-4-(trifluoromethyl)-2H-1-benzopyran-2-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₁₅F₃O₈
0 references
canonical SMILES
O=c1cc(C(F)(F)F)c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2o1
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)CO)O)O)O)OC(=O)C=C2C(F)(F)F
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Identifiers
InChI
InChI=1S/C16H15F3O8/c17-16(18,19)8-4-11(21)26-9-3-6(1-2-7(8)9)25-15-14(24)13(23)12(22)10(5-20)27-15/h1-4,10,12-15,20,22-24H,5H2/t10-,12-,13+,14-,15-/m1/s1
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InChIKey
WXZJYRMHQCZVKG-TVKJYDDYSA-N
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CAS Registry Number
116981-86-3
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PubChem CID
16218755
1 reference
matched by identifier from
InChIKey
InChIKey
WXZJYRMHQCZVKG-TVKJYDDYSA-N
UniChem compound ID
18692480
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60585025
1 reference
matched by identifier from
InChIKey
InChIKey
WXZJYRMHQCZVKG-TVKJYDDYSA-N
DSSTOX compound identifier
DTXCID90535790
0 references
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