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(Q104995375)
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English
[2-[2-(3,4-Dihydroxyphenyl)ethoxy]-4,5-dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate
group of stereoisomers with the chemical formula C₂₉H₃₆O₁₆
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Statements
instance of
group of stereoisomers
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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
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canonical SMILES
O=C(OC1C(O)C(O)C(OC1OCCC2=CC=C(O)C(O)=C2)COC3OC(CO)C(O)C(O)C3O)C=CC4=CC=C(O)C(O)=C4
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Identifiers
InChI
InChI=1S/C29H36O16/c30-11-19-22(36)24(38)26(40)28(43-19)42-12-20-23(37)25(39)27(45-21(35)6-3-13-1-4-15(31)17(33)9-13)29(44-20)41-8-7-14-2-5-16(32)18(34)10-14/h1-6,9-10,19-20,22-34,36-40H,7-8,11-12H2
0 references
InChIKey
FHPIQLCBJIIFCH-UHFFFAOYSA-N
0 references
PubChem CID
85220255
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FHPIQLCBJIIFCH-UHFFFAOYSA-N
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