(Q105313443)

English

[(2S,3S,4S,5R,6R)-6-[(2S,3S,4R,5R)-4-acetyloxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

chemical compound

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type of chemical entity

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subclass of

[6-[4-Acetyloxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-2,5-bis(hydroxymethyl)oxolan-2-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

736.22146444 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-O-[3-(4-Hydroxy-3-methoxyphenyl)acryloyl]-4-O-acetyl-beta-D-fructofuranosyl 6-O-[3-(4-hydroxy-3-methoxyphenyl)acryloyl]-alpha-D-glucopyranoside

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₄H₄₀O₁₈

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canonical SMILES

O=C(OCC1OC(OC2(OC(CO)C(OC(=O)C)C2OC(=O)C=CC3=CC=C(O)C(OC)=C3)CO)C(O)C(O)C1O)C=CC4=CC=C(O)C(OC)=C4

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isomeric SMILES

COc1cc(/C=C/C(=O)OC[C@@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](OC(C)=O)[C@@H]3OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O

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found in taxon

Lilium speciosum

1 reference

stated in

Bitter phenylpropanoid glycosides from Lilium speciosum var. rubrum

Identifiers

InChI

InChI=1S/C34H40O18/c1-17(37)48-31-24(14-35)51-34(16-36,32(31)50-27(41)11-7-19-5-9-21(39)23(13-19)46-3)52-33-30(44)29(43)28(42)25(49-33)15-47-26(40)10-6-18-4-8-20(38)22(12-18)45-2/h4-13,24-25,28-33,35-36,38-39,42-44H,14-16H2,1-3H3/b10-6+,11-7+/t24-,25+,28-,29+,30-,31-,32+,33-,34+/m1/s1

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InChIKey

WVBWCBBIQISCMC-MMUZTPQKSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105313443)

[(2S,3S,4S,5R,6R)-6-[(2S,3S,4R,5R)-4-acetyloxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

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