(Q105249700)

English

[2-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxymethyl]-4-hydroxy-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-3-yl] 3,4,5-trihydroxybenzoate

group of stereoisomers with the chemical formula C₃₆H₃₀O₂₁

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Statements

group of stereoisomers

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alkyl caffeate ester

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alkyl caffeate ester

798.6122 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₆H₃₀O₂₁

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canonical SMILES

O=C(OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C1OC(=O)C4=CC(O)=C(O)C(O)=C4)C=CC5=CC=C(O)C(O)=C5

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Identifiers

InChI=1S/C36H30O21/c37-17-3-1-13(5-18(17)38)2-4-26(45)53-12-25-31(55-33(50)14-6-19(39)27(46)20(40)7-14)30(49)32(56-34(51)15-8-21(41)28(47)22(42)9-15)36(54-25)57-35(52)16-10-23(43)29(48)24(44)11-16/h1-11,25,30-32,36-44,46-49H,12H2

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SBTAYAUXAIWEDA-UHFFFAOYSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

SBTAYAUXAIWEDA-UHFFFAOYSA-N

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