(Q105230240)

English

[(2S,3R,4S,5S,6S)-2-[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate

chemical compound

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instance of

type of chemical entity

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subclass of

[2-[5,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

632.101349308 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-(2-O-Galloyl-beta-D-galactopyranosyloxy)-3',4',5,5',7-pentahydroxyflavone

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₂₄O₁₇

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canonical SMILES

O=C(OC1C(O)C(O)C(OC1OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=C(O)C(O)=C(O)C4)CO)C5=CC(O)=C(O)C(O)=C5

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isomeric SMILES

O=C(O[C@H]1[C@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)O[C@@H](CO)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1

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found in taxon

Geranium pratense

1 reference

stated in

Polyphenolic compounds from Geranium pratense and their free radical scavenging activities

Identifiers

InChI

InChI=1S/C28H24O17/c29-7-17-21(38)23(40)26(44-27(41)9-3-14(34)20(37)15(35)4-9)28(43-17)45-25-22(39)18-11(31)5-10(30)6-16(18)42-24(25)8-1-12(32)19(36)13(33)2-8/h1-6,17,21,23,26,28-38,40H,7H2/t17-,21+,23-,26+,28-/m0/s1

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InChIKey

QYLKPOARSREGIU-HGEPPAKXSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105230240)

[(2S,3R,4S,5S,6S)-2-[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate

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Identifiers

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