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(Q105264504)
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English
[6-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]-3,4,5-trihydroxyoxan-2-yl]methyl 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
494.4032
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₂₂O₁₃
0 references
canonical SMILES
O=C(OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O)C=CC3=CC=C(O)C(O)=C3
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Identifiers
InChI
InChI=1S/C22H22O13/c23-11-3-1-9(5-12(11)24)2-4-16(27)35-22-20(31)19(30)18(29)15(34-22)8-33-21(32)10-6-13(25)17(28)14(26)7-10/h1-7,15,18-20,22-26,28-31H,8H2
0 references
InChIKey
SZYUZVASEFYUCP-UHFFFAOYSA-N
0 references
PubChem CID
162890460
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SZYUZVASEFYUCP-UHFFFAOYSA-N
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