(Q105215444)

English

[2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-[(2S,3R,4S,5S,6R)-6-(benzoyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxybenzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2-({6-[(benzoyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)benzoate

1 reference

based on heuristic

inferred from SMILES

mass

672.205420452 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₃₆O₁₅

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canonical SMILES

O=C(OCC1OC(OC=2C=CC=CC2C(=O)OCC=3C=CC=CC3OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C1O)C=5C=CC=CC5

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isomeric SMILES

O=C(OC[C@H]1O[C@@H](Oc2ccccc2C(=O)OCc2ccccc2O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1

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found in taxon

Prunus grayana

1 reference

stated in

Phenolic glucosides from the heartwood of Prunus grayana

Identifiers

InChI

InChI=1S/C33H36O15/c34-14-22-24(35)26(37)28(39)32(47-22)45-20-12-6-4-10-18(20)15-43-31(42)19-11-5-7-13-21(19)46-33-29(40)27(38)25(36)23(48-33)16-44-30(41)17-8-2-1-3-9-17/h1-13,22-29,32-40H,14-16H2/t22-,23+,24-,25+,26+,27-,28-,29+,32-,33+/m0/s1

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InChIKey

PVGVBCHULKKBFQ-QGJZUJBISA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105215444)

[2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-[(2S,3R,4S,5S,6R)-6-(benzoyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxybenzoate

Statements

Identifiers

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