(Q110081430)

English

3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

group of stereoisomers with the chemical formula C₃₃H₄₁O₂₁⁺

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Statements

instance of

group of stereoisomers

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subclass of

organic cation

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mass

773.21348475209 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₁O₂₁⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

OC=1C=C(OC2OC(CO)C(O)C(O)C2O)C=3C=C(OC4OC(CO)C(O)C(O)C4OC5OC(CO)C(O)C(O)C5O)C(=[O+]C3C1)C=6C=CC(O)=C(O)C6

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found in taxon

Brassica oleracea

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stated in

Anthocyanin composition of Brassica oleracea cv. Red Danish

Ipomoea purpurea

1 reference

stated in

Anthocyanins in callus induced from purple storage root of Ipomoea batatas L

Identifiers

InChI

InChI=1S/C33H40O21/c34-7-18-21(40)24(43)27(46)31(51-18)49-16-5-11(37)4-15-12(16)6-17(29(48-15)10-1-2-13(38)14(39)3-10)50-33-30(26(45)23(42)20(9-36)53-33)54-32-28(47)25(44)22(41)19(8-35)52-32/h1-6,18-28,30-36,40-47H,7-9H2,(H2-,37,38,39)/p+1

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InChIKey

LOXRHOFBKUTJEZ-UHFFFAOYSA-O

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q110081430)

3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

Statements

Identifiers

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