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(Q105245728)
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English
[6-[2-(3,4-Dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-[3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
group of stereoisomers with the chemical formula C₂₉H₃₆O₁₆
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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
640.2003350719999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₉H₃₆O₁₆
0 references
canonical SMILES
O=C(OCC1OC(OCCC2=CC=C(O)C(O)=C2)C(O)C(O)C1O)C=CC3=CC=C(OC4OC(CO)C(O)C(O)C4O)C(O)=C3
0 references
Identifiers
InChI
InChI=1S/C29H36O16/c30-11-19-22(35)24(37)27(40)29(44-19)43-18-5-2-13(10-17(18)33)3-6-21(34)42-12-20-23(36)25(38)26(39)28(45-20)41-8-7-14-1-4-15(31)16(32)9-14/h1-6,9-10,19-20,22-33,35-40H,7-8,11-12H2
0 references
InChIKey
RUOZCMRVSFOEKD-UHFFFAOYSA-N
0 references
PubChem CID
163021916
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RUOZCMRVSFOEKD-UHFFFAOYSA-N
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