(Q105269911)

English

5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2R,3S,4S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

chemical compound

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instance of

type of chemical entity

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subclass of

flavylium compound

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4C-substituted flavan

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mass

705.18139677609 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2R,3R,4S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₆H₃₃O₁₅⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

OC=1C=CC(=CC1)C=2[O+]=C3C(=CC2OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O)=C3C5C=6C(O)=CC(O)=CC6OC(C7=CC=C(O)C=C7)C5O

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isomeric SMILES

OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)c([C@@H]4c5c(O)cc(O)cc5O[C@H](c5ccc(O)cc5)[C@H]4O)c3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O

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found in taxon

strawberries

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stated in

Dimeric anthocyanins from strawberry (Fragaria ananassa) consisting of pelargonidin 3-glucoside covalently linked to four flavan-3-ols

Identifiers

InChI

InChI=1S/C36H32O15/c37-13-25-29(44)31(46)32(47)36(50-25)49-24-11-19-20(41)12-22(43)27(35(19)51-33(24)14-1-5-16(38)6-2-14)28-26-21(42)9-18(40)10-23(26)48-34(30(28)45)15-3-7-17(39)8-4-15/h1-12,25,28-32,34,36-37,44-47H,13H2,(H5-,38,39,40,41,42,43)/p+1/t25-,28+,29-,30+,31+,32-,34-,36-/m1/s1

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InChIKey

UCHHYHHTRCIREP-MADVDDOLSA-O

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PubChem CID

23250958

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

UCHHYHHTRCIREP-MADVDDOLSA-O

1 reference

(Q105269911)

5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2R,3S,4S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

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Identifiers

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