(Q110204440)

English

3-[4,5-Dihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxychromenylium-5-yl]oxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-oxopropanoic acid

group of stereoisomers with the chemical formula C₃₉H₃₉O₂₀⁺

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Statements

instance of

group of stereoisomers

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subclass of

organic cation

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mass

827.20292006809 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₃₉O₂₀⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

O=C(O)CC(=O)OC1C(O)C(O)C(OC2=CC(O)=CC=3[O+]=C(C(OC4OC(COC(=O)C=CC5=CC=C(O)C=C5)C(O)C(O)C4O)=CC23)C=6C=CC(O)=CC6)OC1CO

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found in taxon

Hyacinthus orientalis

1 reference

stated in

Acylated anthocyanins from red Hyacinthus orientalis

Identifiers

InChI

InChI=1S/C39H38O20/c40-15-26-37(59-30(47)14-28(44)45)33(50)35(52)39(57-26)55-24-12-21(43)11-23-22(24)13-25(36(54-23)18-4-8-20(42)9-5-18)56-38-34(51)32(49)31(48)27(58-38)16-53-29(46)10-3-17-1-6-19(41)7-2-17/h1-13,26-27,31-35,37-40,48-52H,14-16H2,(H3-,41,42,43,44,45,46)/p+1

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InChIKey

MDEOANVPTRUJEP-UHFFFAOYSA-O

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MDEOANVPTRUJEP-UHFFFAOYSA-O

(Q110204440)

3-[4,5-Dihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxychromenylium-5-yl]oxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-oxopropanoic acid

Statements

Identifiers

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