(Q105272612)

English

[(3S,4S,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl (2Z,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoate

chemical compound

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instance of

type of chemical entity

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subclass of

[5-[4,5-Dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 6-hydroxy-2,6-dimethylocta-2,7-dienoate

1 reference

1 reference

570.231241276 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3R,4R,5S)-5-{[(2R,3S,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2E,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoate

1 reference

based on heuristic

inferred from InChI

[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl (2E,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₈O₁₃

0 references

canonical SMILES

O=C(OCC1(O)COC(OC2C(O)C(O)C(OC2OC3=CC=C(O)C=C3)CO)C1O)C(=CCCC(O)(C=C)C)C

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isomeric SMILES

C=C[C@@](C)(O)CC/C=C(/C)C(=O)OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H]1O

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found in taxon

Myrsine seguinii

1 reference

stated in

Hydroquinone diglycoside acyl esters from the leaves of Myrsine seguinii

Identifiers

InChI

InChI=1S/C27H38O13/c1-4-26(3,34)11-5-6-15(2)23(33)36-13-27(35)14-37-25(22(27)32)40-21-20(31)19(30)18(12-28)39-24(21)38-17-9-7-16(29)8-10-17/h4,6-10,18-22,24-25,28-32,34-35H,1,5,11-14H2,2-3H3/b15-6-/t18-,19-,20+,21-,22-,24-,25+,26-,27-/m1/s1

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InChIKey

UGWLQZKGUNBHIP-POWKQXBISA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105272612)

[(3S,4S,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl (2Z,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoate

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