(Q115946664)

English

NWYPSJATNKDRKG-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₁₂H₁₆O₆

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Statements

group of stereoisomers

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chemical compound

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256.094688232 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₂H₁₆O₆

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canonical SMILES

O=C(OC)CC(O)C1=CC(OC)=C(O)C(OC)=C1

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Ruta graveolens

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In silico target fishing for rationalized ligand discovery exemplified on constituents of Ruta graveolens

Identifiers

InChI=1S/C12H16O6/c1-16-9-4-7(5-10(17-2)12(9)15)8(13)6-11(14)18-3/h4-5,8,13,15H,6H2,1-3H3

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NWYPSJATNKDRKG-UHFFFAOYSA-N

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