(Q110204426)

English

[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]methyl 3-(4-hydroxyphenyl)prop-2-enoate

group of stereoisomers with the chemical formula C₄₂H₄₇O₂₃⁺

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Statements

instance of

group of stereoisomers

0 references

subclass of

organic cation

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mass

919.25026418409 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₄₇O₂₃⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

O=C(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)C=CC7=CC=C(O)C=C7

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found in taxon

Brassica oleracea

2 references

stated in

Structure of Monoacylated Anthocyanins Isolated from Red Cabbage,Brassica oleracea

stated in

Anthocyanin composition of Brassica oleracea cv. Red Danish

Identifiers

InChI

InChI=1S/C42H46O23/c43-13-26-30(50)33(53)36(56)40(62-26)60-24-11-19(46)10-23-20(24)12-25(38(59-23)17-4-7-21(47)22(48)9-17)61-42-39(65-41-37(57)34(54)31(51)27(14-44)63-41)35(55)32(52)28(64-42)15-58-29(49)8-3-16-1-5-18(45)6-2-16/h1-12,26-28,30-37,39-44,50-57H,13-15H2,(H3-,45,46,47,48,49)/p+1

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InChIKey

XOEXPZWQKSJHLH-UHFFFAOYSA-O

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XOEXPZWQKSJHLH-UHFFFAOYSA-O

(Q110204426)

[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]methyl 3-(4-hydroxyphenyl)prop-2-enoate

Statements

Identifiers

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