(Q105167924)

English

(2E)-3-(4-hydroxy-5-methoxycyclohexa-2,4-dien-1-yl)prop-2-en-1-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

group of stereoisomers with the chemical formula C₂₀H₂₂O₆

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Statements

group of stereoisomers

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alkyl caffeate ester

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alkyl caffeate ester

358.141638424 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₂O₆

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canonical SMILES

O=C(OCC=CC1C=CC(O)=C(OC)C1)C=CC2=CC=C(O)C(OC)=C2

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isomeric SMILES

COC1=C(O)C=CC(/C=C/COC(=O)/C=C/c2ccc(O)c(OC)c2)C1

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based on heuristic

inferred from InChI

Peganum nigellastrum

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Alkaloids and phenylpropanoids from Peganum nigellastrum

Identifiers

InChI=1S/C20H22O6/c1-24-18-12-14(5-8-16(18)21)4-3-11-26-20(23)10-7-15-6-9-17(22)19(13-15)25-2/h3-10,13-14,21-22H,11-12H2,1-2H3/b4-3+,10-7+

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MMNPPMLKRVJJKZ-YZQQHVNFSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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