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(Q105023066)
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English
[6-(2-Acetyl-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
group of stereoisomers with the chemical formula C₂₁H₂₂O₁₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
482.10604076399966
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₂O₁₃
0 references
canonical SMILES
O=C(OCC1OC(OC=2C=C(O)C=C(O)C2C(=O)C)C(O)C(O)C1O)C3=CC(O)=C(O)C(O)=C3
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Identifiers
InChI
InChI=1S/C21H22O13/c1-7(22)15-10(24)4-9(23)5-13(15)33-21-19(30)18(29)17(28)14(34-21)6-32-20(31)8-2-11(25)16(27)12(26)3-8/h2-5,14,17-19,21,23-30H,6H2,1H3
0 references
InChIKey
GXHABJFCOYOIBY-UHFFFAOYSA-N
0 references
PubChem CID
78173111
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GXHABJFCOYOIBY-UHFFFAOYSA-N
UniChem compound ID
83282526
1 reference
stated in
UniChem
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