(Q105289727)

English

butyl 3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylate

group of stereoisomers with the chemical formula C₂₀H₂₆O₉

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Statements

group of stereoisomers

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chemical compound

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410.15768241199993 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₉

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canonical SMILES

O=C(OC1CC(O)(C(=O)OCCCC)CC(O)C1O)C=CC2=CC=C(O)C(O)=C2

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isomeric SMILES

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

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C20H26O9/c1-2-3-8-28-19(26)20(27)10-15(23)18(25)16(11-20)29-17(24)7-5-12-4-6-13(21)14(22)9-12/h4-7,9,15-16,18,21-23,25,27H,2-3,8,10-11H2,1H3/b7-5+

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VNLREARKISTOAD-FNORWQNLSA-N

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1 reference

matched by identifier from

VNLREARKISTOAD-FNORWQNLSA-N

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