(Q110198768)

English

[3,4-Dihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

group of stereoisomers with the chemical formula C₄₂H₄₇O₂₂⁺

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instance of

group of stereoisomers

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subclass of

organic cation

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mass

903.25534956409 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₂H₄₇O₂₂⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

O=C(OCC1OC(OC2=CC=3C(OC4OC(CO)C(O)C(O)C4O)=CC(O)=CC3[O+]=C2C=5C=CC(O)=CC5)C(OC6OC(CO)C(O)C(O)C6O)C(O)C1O)C=CC7=CC=C(O)C=C7

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Identifiers

InChI

InChI=1S/C42H46O22/c43-14-26-30(49)33(52)36(55)40(61-26)59-24-12-21(47)11-23-22(24)13-25(38(58-23)18-4-8-20(46)9-5-18)60-42-39(64-41-37(56)34(53)31(50)27(15-44)62-41)35(54)32(51)28(63-42)16-57-29(48)10-3-17-1-6-19(45)7-2-17/h1-13,26-28,30-37,39-44,49-56H,14-16H2,(H2-,45,46,47,48)/p+1

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InChIKey

ABHFLYVGOLPRKB-UHFFFAOYSA-O

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1 reference

17 September 2022

inferred from InChIKey

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17 September 2022

inferred from InChIKey

1 reference

Human Metabolome Database ID

HMDB0035450

1 reference

based on heuristic

inferred from InChIKey

(Q110198768)

[3,4-Dihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

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