(Q110080751)

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-hydroxy-3-methoxyphenyl)prop-2-enoate

group of stereoisomers with the chemical formula C₄₃H₄₉O₂₄⁺

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Statements

instance of

group of stereoisomers

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subclass of

organic cation

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mass

949.26082886809 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₃H₄₉O₂₄⁺

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(OC)=C7

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found in taxon

Brassica oleracea

2 references

stated in

Anthocyanin composition of Brassica oleracea cv. Red Danish

stated in

Structure of Monoacylated Anthocyanins Isolated from Red Cabbage,Brassica oleracea

Identifiers

InChI

InChI=1S/C43H48O24/c1-59-25-8-16(2-5-21(25)48)3-7-30(50)60-15-29-33(53)36(56)40(67-42-38(58)35(55)32(52)28(14-45)65-42)43(66-29)63-26-12-19-23(61-39(26)17-4-6-20(47)22(49)9-17)10-18(46)11-24(19)62-41-37(57)34(54)31(51)27(13-44)64-41/h2-12,27-29,31-38,40-45,51-58H,13-15H2,1H3,(H3-,46,47,48,49,50)/p+1

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InChIKey

UOUACTHXODLWSX-UHFFFAOYSA-O

0 references

2 references

15 September 2022

matched by identifier from

InChIKey

UOUACTHXODLWSX-UHFFFAOYSA-O

(Q110080751)

[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-hydroxy-3-methoxyphenyl)prop-2-enoate

Statements

Identifiers

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