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CHEBI:181833 - [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-hydroxycyclohexyl)oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

ChEBI IDCHEBI:181833
ChEBI Name[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-hydroxycyclohexyl)oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O10
Net Charge0
Average Mass440.445
Monoisotopic Mass440.16825
SMILESO=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](OC2CCCCC2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C21H28O10/c22-12-7-5-11(9-14(12)24)6-8-17(25)29-10-16-18(26)19(27)20(28)21(31-16)30-15-4-2-1-3-13(15)23/h5-9,13,15-16,18-24,26-28H,1-4,10H2/b8-6+/t13?,15?,16-,18-,19+,20-,21-/m1/s1
InChIKeyCSGSKMJWQQEEQK-NHCPJIJJSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-hydroxycyclohexyl)oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate (CHEBI:181833) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-hydroxycyclohexyl)oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
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