(Q105257280)

English

malvidin 5-O-glucoside

chemical compound

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

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Statements

instance of

type of chemical entity

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493.13405266009 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₅O₁₂⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

OC=1C=C(OC2OC(CO)C(O)C(O)C2O)C=3C=C(O)C(=[O+]C3C1)C=4C=C(OC)C(O)=C(OC)C4

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isomeric SMILES

COc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3cc2O)cc(OC)c1O

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found in taxon

Geranium

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stated in

Malvidin-3-O-glucoside-5-O-(6-acetylglucoside) and its colour manifestation in ‘Johnson's Blue’ and other ‘Blue’ geraniums

Identifiers

InChI

InChI=1S/C23H24O12/c1-31-15-3-9(4-16(32-2)18(15)27)22-12(26)7-11-13(33-22)5-10(25)6-14(11)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19+,20-,21+,23+/m0/s1

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InChIKey

SOXSMGAIQXLMOM-MNSFUXDKSA-O

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SOXSMGAIQXLMOM-MNSFUXDKSA-O

(Q105257280)

malvidin 5-O-glucoside

Statements

Identifiers

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