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(Q105160219)
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English
[6-[2-(3,4-Dimethoxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] 3-(3,4-dimethoxyphenyl)prop-2-enoate
group of stereoisomers with the chemical formula C₂₇H₃₄O₁₁
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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
534.2101119079997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₇H₃₄O₁₁
0 references
canonical SMILES
O=C(OC1C(O)C(O)C(OCCC2=CC=C(OC)C(OC)=C2)OC1CO)C=CC3=CC=C(OC)C(OC)=C3
0 references
Identifiers
InChI
InChI=1S/C27H34O11/c1-32-18-8-5-16(13-20(18)34-3)7-10-23(29)38-26-22(15-28)37-27(25(31)24(26)30)36-12-11-17-6-9-19(33-2)21(14-17)35-4/h5-10,13-14,22,24-28,30-31H,11-12,15H2,1-4H3
0 references
InChIKey
LZYWUAOYXKIXFZ-UHFFFAOYSA-N
0 references
PubChem CID
132993744
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LZYWUAOYXKIXFZ-UHFFFAOYSA-N
UniChem compound ID
165056245
1 reference
stated in
UniChem
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