(Q104982928)

English

[(2R,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[6-[2-[5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

800.21637906 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

isoscoparin 2''-[6-(E)-feruloylglucoside]

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₈H₄₀O₁₉

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canonical SMILES

O=C(OCC1OC(OC2C(O)C(O)C(OC2C3=C(O)C=C4OC(=CC(=O)C4=C3O)C=5C=CC(O)=C(OC)C5)CO)C(O)C(O)C1O)C=CC6=CC=C(O)C(OC)=C6

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isomeric SMILES

COc1cc(/C=C/C(=O)OC[C@H]2O[C@H](O[C@H]3[C@H](c4c(O)cc5oc(-c6ccc(O)c(OC)c6)cc(=O)c5c4O)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O

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found in taxon

Oryza sativa

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stated in

C-glycosylflavones from Oryza sativa

Identifiers

InChI

InChI=1S/C38H40O19/c1-51-22-9-15(3-6-17(22)40)4-8-27(44)53-14-26-31(46)33(48)35(50)38(56-26)57-37-34(49)30(45)25(13-39)55-36(37)29-20(43)12-24-28(32(29)47)19(42)11-21(54-24)16-5-7-18(41)23(10-16)52-2/h3-12,25-26,30-31,33-41,43,45-50H,13-14H2,1-2H3/b8-4+/t25-,26-,30-,31-,33+,34+,35-,36+,37-,38-/m1/s1

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InChIKey

DJZOTDSGEBENPL-RRNMACEZSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104982928)

[(2R,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

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