(Q104956971)

English

[(2R,3R,4S,5R,6R)-6-[(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[6-[2-(3,4-Dihydroxyphenyl)-2-hydroxyethoxy]-3,5-dihydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

640.200335072 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₆O₁₆

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canonical SMILES

O=C(OCC1OC(OCC(O)C2=CC=C(O)C(O)=C2)C(O)C(OC3OC(C)C(O)C(O)C3O)C1O)C=CC4=CC=C(O)C(O)=C4

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isomeric SMILES

C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](COC(=O)/C=C/c3ccc(O)c(O)c3)O[C@@H](OC[C@H](O)c3ccc(O)c(O)c3)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

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found in taxon

Paulownia coreana

1 reference

stated in

Inhibition of Aldose Reductase by Phenylethanoid Glycoside Isolated from the Seeds of Paulownia coreana

Paulownia tomentosa

1 reference

stated in

Inhibition of Aldose Reductase by Phenylethanoid Glycoside Isolated from the Seeds of Paulownia coreana

sesame

1 reference

stated in

Phenylethanoid glycosides of Sesamum indicum

Identifiers

InChI

InChI=1S/C29H36O16/c1-12-22(36)24(38)25(39)29(43-12)45-27-23(37)20(11-41-21(35)7-3-13-2-5-15(30)17(32)8-13)44-28(26(27)40)42-10-19(34)14-4-6-16(31)18(33)9-14/h2-9,12,19-20,22-34,36-40H,10-11H2,1H3/b7-3+/t12-,19-,20+,22-,23+,24+,25+,26+,27-,28+,29-/m0/s1

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InChIKey

CFUBHHJNQFDGOC-FJXYVNTESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CFUBHHJNQFDGOC-FJXYVNTESA-N

1 reference

(Q104956971)

[(2R,3R,4S,5R,6R)-6-[(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

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