(Q105112692)

English

[3,4-Dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

group of stereoisomers with the chemical formula C₂₀H₂₀O₁₃

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

468.0903907 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₀O₁₃

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canonical SMILES

O=C(OCC1OCC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O)C3=CC(O)=C(O)C(O)=C3

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Identifiers

InChI

InChI=1S/C20H20O13/c21-9-1-7(2-10(22)15(9)25)19(29)32-5-13-17(27)18(28)14(6-31-13)33-20(30)8-3-11(23)16(26)12(24)4-8/h1-4,13-14,17-18,21-28H,5-6H2

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InChIKey

IGKWMHUOBKCUQU-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IGKWMHUOBKCUQU-UHFFFAOYSA-N

SureChEMBL ID

SCHEMBL14339419

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

IGKWMHUOBKCUQU-UHFFFAOYSA-N

1 reference

(Q105112692)

[3,4-Dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

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