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(Q104994062)
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English
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
group of stereoisomers with the chemical formula C₂₁H₂₈O₁₄
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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
504.14790557599963
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₈O₁₄
0 references
canonical SMILES
O=C(OC1OC(CO)C(O)C(O)C1O)C=CC2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2
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Identifiers
InChI
InChI=1S/C21H28O14/c22-6-11-14(26)16(28)18(30)20(33-11)32-10-5-8(1-3-9(10)24)2-4-13(25)35-21-19(31)17(29)15(27)12(7-23)34-21/h1-5,11-12,14-24,26-31H,6-7H2
0 references
InChIKey
FENFABQIKVXSMR-UHFFFAOYSA-N
0 references
PubChem CID
85302351
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FENFABQIKVXSMR-UHFFFAOYSA-N
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