(Q110204430)

English

3-[[6-[2-(3,4-Dihydroxyphenyl)-7-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid

group of stereoisomers with the chemical formula C₃₆H₄₃O₂₄⁺

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Statements

instance of

group of stereoisomers

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subclass of

organic cation

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mass

859.21387867609 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₄₃O₂₄⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

O=C(O)CC(=O)OCC1OC(OC2=CC=3C(OC4OC(CO)C(O)C(O)C4O)=CC(O)=CC3[O+]=C2C=5C=CC(O)=C(O)C5)C(OC6OC(CO)C(O)C(O)C6O)C(O)C1O

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found in taxon

Brassica oleracea

1 reference

stated in

Anthocyanin composition of Brassica oleracea cv. Red Danish

Identifiers

InChI

InChI=1S/C36H42O24/c37-8-19-24(45)27(48)30(51)34(57-19)55-17-5-12(39)4-16-13(17)6-18(32(54-16)11-1-2-14(40)15(41)3-11)56-36-33(60-35-31(52)28(49)25(46)20(9-38)58-35)29(50)26(47)21(59-36)10-53-23(44)7-22(42)43/h1-6,19-21,24-31,33-38,45-52H,7-10H2,(H3-,39,40,41,42,43)/p+1

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InChIKey

ASCBTZBIOSPIRQ-UHFFFAOYSA-O

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ASCBTZBIOSPIRQ-UHFFFAOYSA-O

(Q110204430)

3-[[6-[2-(3,4-Dihydroxyphenyl)-7-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid

Statements

Identifiers

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