(Q105341522)

English

[4-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]-5-hydroxy-2-(hydroxymethyl)-6-(3,4,5-trihydroxybenzoyl)oxyoxan-3-yl] 3,4,5-trihydroxybenzoate

group of stereoisomers with the chemical formula C₂₉H₂₆O₁₇

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Statements

group of stereoisomers

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alkyl caffeate ester

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alkyl caffeate ester

646.116999372 dalton

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based on heuristic

inferred from InChI

chemical formula

C₂₉H₂₆O₁₇

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canonical SMILES

O=C(OC1C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)OC(CO)C1OC(=O)C3=CC(O)=C(O)C(O)=C3)C=CC4=CC=C(O)C(O)=C4

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Identifiers

InChI=1S/C29H26O17/c30-10-20-25(45-27(41)12-6-16(33)22(38)17(34)7-12)26(44-21(37)4-2-11-1-3-14(31)15(32)5-11)24(40)29(43-20)46-28(42)13-8-18(35)23(39)19(36)9-13/h1-9,20,24-26,29-36,38-40H,10H2

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XTFLDMSXWVBSOB-UHFFFAOYSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

XTFLDMSXWVBSOB-UHFFFAOYSA-N

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