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(Q105330023)
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English
[5,6-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,4-dihydroxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
group of stereoisomers with the chemical formula C₃₃H₃₀O₁₅
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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
666.1584702600001
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₃H₃₀O₁₅
0 references
canonical SMILES
O=C(OCC1OC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O)C1O)C=CC4=CC=C(O)C(O)=C4
0 references
Identifiers
InChI
InChI=1S/C33H30O15/c34-20-7-1-17(13-23(20)37)4-10-27(40)45-16-26-30(43)31(44)32(47-28(41)11-5-18-2-8-21(35)24(38)14-18)33(46-26)48-29(42)12-6-19-3-9-22(36)25(39)15-19/h1-15,26,30-39,43-44H,16H2
0 references
InChIKey
XLJXWPYQMKKBOH-UHFFFAOYSA-N
0 references
PubChem CID
85368575
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XLJXWPYQMKKBOH-UHFFFAOYSA-N
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