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(Q105007702)
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English
[6-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
group of stereoisomers with the chemical formula C₂₂H₂₂O₁₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
alkyl caffeate ester
1 reference
inferred from
alkyl caffeate ester
mass
494.10604076399966
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₂₂O₁₃
0 references
canonical SMILES
O=C(OC1OC(CO)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O)C=CC3=CC=C(O)C(O)=C3
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Identifiers
InChI
InChI=1S/C22H22O13/c23-8-15-20(35-21(32)10-6-13(26)17(29)14(27)7-10)18(30)19(31)22(33-15)34-16(28)4-2-9-1-3-11(24)12(25)5-9/h1-7,15,18-20,22-27,29-31H,8H2
0 references
InChIKey
GFPUDZUPRPFVCH-UHFFFAOYSA-N
0 references
PubChem CID
162889380
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GFPUDZUPRPFVCH-UHFFFAOYSA-N
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