(Q110201578)

English

3-[[6-[5,7-Dihydroxy-2-[4-hydroxy-3,5-bis[[3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxy]phenyl]chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

group of stereoisomers with the chemical formula C₅₄H₅₅O₂₉⁺

In more languages

Statements

group of stereoisomers

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1,167.28235216009 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₄H₅₅O₂₉⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

O=C(O)CC(=O)OCC1OC(OC2=CC=3C(O)=CC(O)=CC3[O+]=C2C=4C=C(OC5OC(COC(=O)C=CC6=CC=C(O)C=C6)C(O)C(O)C5O)C(O)=C(OC7OC(COC(=O)C=CC8=CC=C(O)C=C8)C(O)C(O)C7O)C4)C(O)C(O)C1O

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Identifiers

InChI=1S/C54H54O29/c55-25-7-1-22(2-8-25)5-11-38(61)74-19-34-42(65)45(68)48(71)52(81-34)78-31-13-24(14-32(41(31)64)79-53-49(72)46(69)43(66)35(82-53)20-75-39(62)12-6-23-3-9-26(56)10-4-23)51-33(17-28-29(58)15-27(57)16-30(28)77-51)80-54-50(73)47(70)44(67)36(83-54)21-76-40(63)18-37(59)60/h1-17,34-36,42-50,52-54,65-73H,18-21H2,(H5-,55,56,57,58,59,60,61,62,64)/p+1

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KKECMUABAZRPGE-UHFFFAOYSA-O

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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