(Q110185606)

English

(3R,4S,5S,6R)-2-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

group of stereoisomers with the chemical formula C₂₁H₂₁O₁₁⁺

In more languages

Statements

group of stereoisomers

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449.1078379120899 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₁H₂₁O₁₁⁺

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based on heuristic

inferred from SMILES

canonical SMILES

OC=1C=C(O)C=2C=C(OC3OC(CO)C(O)C(O)C3O)C(=[O+]C2C1)C=4C=CC(O)=C(O)C4

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isomeric SMILES

OC[C@H]1OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O

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Identifiers

InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17-,18+,19-,21?/m1/s1

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RKWHWFONKJEUEF-AVPDHNOJSA-O

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based on heuristic

inferred from InChIKey

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based on heuristic

inferred from InChIKey

UniChem compound ID

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