(Q105031732)

English

Ethyl 4-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,3,5-trihydroxycyclohexane-1-carboxylate

group of stereoisomers with the chemical formula C₁₈H₂₂O₉

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Statements

group of stereoisomers

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alkyl caffeate ester

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alkyl caffeate ester

382.3626 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₈H₂₂O₉

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canonical SMILES

O=C(OC1C(O)CC(O)(C(=O)OCC)CC1O)C=CC2=CC=C(O)C(O)=C2

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Identifiers

InChI=1S/C18H22O9/c1-2-26-17(24)18(25)8-13(21)16(14(22)9-18)27-15(23)6-4-10-3-5-11(19)12(20)7-10/h3-7,13-14,16,19-22,25H,2,8-9H2,1H3

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HPJJCRNQEWRFQW-UHFFFAOYSA-N

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1 reference

based on heuristic

inferred from InChIKey

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