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CHEBI:181094 - methyl (3R,4R,5R)-5-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]oxy-3,4-dihydroxycyclohexene-1-carboxylate

ChEBI IDCHEBI:181094
ChEBI Namemethyl (3R,4R,5R)-5-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]oxy-3,4-dihydroxycyclohexene-1-carboxylate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28O11
Net Charge0
Average Mass480.466
Monoisotopic Mass480.16316
SMILESCOC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)/C=C/c2ccccc2)C1
InChIInChI=1S/C23H28O11/c1-31-22(30)13-9-14(25)18(27)15(10-13)32-23-21(20(29)19(28)16(11-24)33-23)34-17(26)8-7-12-5-3-2-4-6-12/h2-9,14-16,18-21,23-25,27-29H,10-11H2,1H3/b8-7+/t14-,15-,16-,18-,19-,20+,21-,23-/m1/s1
InChIKeyDWQNDLRNUNNJHX-NZNOAPCVSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl (3R,4R,5R)-5-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]oxy-3,4-dihydroxycyclohexene-1-carboxylate (CHEBI:181094) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
methyl (3R,4R,5R)-5-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]oxy-3,4-dihydroxycyclohexene-1-carboxylate
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