(Q105255881)

English

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

group of stereoisomers with the chemical formula C₁₇H₂₀O₉

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Statements

group of stereoisomers

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alkyl caffeate ester

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alkyl caffeate ester

368.1107322199999 dalton

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based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₀O₉

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canonical SMILES

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

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Identifiers

InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(13(21)8-17)26-14(22)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-21,24H,7-8H2,1H3

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SMFKCIHIAHWGGL-UHFFFAOYSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

SMFKCIHIAHWGGL-UHFFFAOYSA-N

UniChem compound ID

1 reference

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