(Q105211763)

English

1,3-bis(4-(D-glucopyranosyloxy)benzyl)citrate

group of stereoisomers with the chemical formula C₃₂H₄₀O₁₉

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Statements

group of stereoisomers

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chemical compound

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728.2163790600001 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₄₀O₁₉

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canonical SMILES

O=C(O)C(O)(CC(=O)OCC1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1)CC(=O)OCC3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3

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Identifiers

InChI=1S/C32H40O19/c33-11-19-23(37)25(39)27(41)29(50-19)48-17-5-1-15(2-6-17)13-46-21(35)9-32(45,31(43)44)10-22(36)47-14-16-3-7-18(8-4-16)49-30-28(42)26(40)24(38)20(12-34)51-30/h1-8,19-20,23-30,33-34,37-42,45H,9-14H2,(H,43,44)

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PMVCHAWVCIWVLP-UHFFFAOYSA-N

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1 reference

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

Human Metabolome Database ID

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based on heuristic

inferred from InChIKey

matched by identifier from

PMVCHAWVCIWVLP-UHFFFAOYSA-N

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