(Q104252981)

English

oenin

group of stereoisomers with the chemical formula C₂₃H₂₅O₁₂⁺

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Statements

group of stereoisomers

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flavylium compound

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flavylium compound

493.13405266009 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₅O₁₂⁺

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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=C(OC)C(O)=C(OC)C4

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isomeric SMILES

COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2OC(CO)[C@@H](O)C(O)C2O)cc(OC)c1O

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Identifiers

InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17?,19-,20?,21?,23-/m1/s1

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PXUQTDZNOHRWLI-WWQUNHJESA-O

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1 reference

26 December 2021

UniChem compound ID

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