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(Q105297849)
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English
[5-Oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
group of stereoisomers with the chemical formula C₂₁H₂₆O₁₂
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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
470.1424262719997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₆O₁₂
0 references
canonical SMILES
O=C(OCC1OC(=O)CC1OC2OC(CO)C(O)C(O)C2O)C=CC3=CC=C(O)C(OC)=C3
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Identifiers
InChI
InChI=1S/C21H26O12/c1-29-12-6-10(2-4-11(12)23)3-5-16(24)30-9-15-13(7-17(25)31-15)32-21-20(28)19(27)18(26)14(8-22)33-21/h2-6,13-15,18-23,26-28H,7-9H2,1H3
0 references
InChIKey
VVSLYQRZDNZIIV-UHFFFAOYSA-N
0 references
PubChem CID
163028992
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VVSLYQRZDNZIIV-UHFFFAOYSA-N
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