(Q82993701)

English

5-Hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl methyl hexopyranosiduronate

group of stereoisomers with the chemical formula C₂₃H₂₂O₁₁

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

474.1162115239999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₂O₁₁

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based on heuristic

inferred from SMILES

canonical SMILES

COC(=O)C1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(OC)cc4)oc3c2)C(O)C(O)C1O

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COC(=O)[C@H]1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(OC)cc4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C23H22O11/c1-30-11-5-3-10(4-6-11)15-9-14(25)17-13(24)7-12(8-16(17)33-15)32-23-20(28)18(26)19(27)21(34-23)22(29)31-2/h3-9,18-21,23-24,26-28H,1-2H3/t18-,19-,20+,21-,23?/m0/s1

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InChIKey

NCDRCVIENURMRZ-XURRJDJLSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID701427214

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(Q82993701)

5-Hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl methyl hexopyranosiduronate

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