(Q105033858)

English

[6-[Cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

group of stereoisomers with the chemical formula C₂₃H₂₃NO₉

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Statements

group of stereoisomers

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alkyl caffeate ester

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alkyl caffeate ester

457.137281316 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₃NO₉

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canonical SMILES

N#CC(OC1OC(COC(=O)C=CC2=CC=C(O)C(O)=C2)C(O)C(O)C1O)C=3C=CC=CC3

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Prunus buergeri

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Phenylpropanoid glucose esters from Prunus buergeriana

Identifiers

InChI=1S/C23H23NO9/c24-11-17(14-4-2-1-3-5-14)32-23-22(30)21(29)20(28)18(33-23)12-31-19(27)9-7-13-6-8-15(25)16(26)10-13/h1-10,17-18,20-23,25-26,28-30H,12H2

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HUKWADINTARKBT-UHFFFAOYSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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