(Q105027534)

English

2-[3-[3-[1-Carboxy-2-(3,4-dihydroxyphenyl)ethenoxy]-4-hydroxyphenyl]prop-2-enoyloxy]-3-(3,4-dihydroxyphenyl)propanoic acid

group of stereoisomers with the chemical formula C₂₇H₂₂O₁₂

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Statements

group of stereoisomers

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alkyl caffeate ester

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alkyl caffeate ester

538.111126144 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₂₂O₁₂

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canonical SMILES

O=C(O)C(OC1=CC(C=CC(=O)OC(C(=O)O)CC2=CC=C(O)C(O)=C2)=CC=C1O)=CC3=CC=C(O)C(O)=C3

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Salvia miltiorrhiza

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Polyphenolics of Salvia--a review

Identifiers

InChI=1S/C27H22O12/c28-17-5-2-15(9-20(17)31)12-23(26(34)35)38-22-11-14(1-7-19(22)30)4-8-25(33)39-24(27(36)37)13-16-3-6-18(29)21(32)10-16/h1-12,24,28-32H,13H2,(H,34,35)(H,36,37)

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HFTLCJIFEZUOCR-UHFFFAOYSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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