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CHEBI:76140 - (2S,3R)-trans-ε-viniferin

ChEBI IDCHEBI:76140
ChEBI Name(2S,3R)-trans-ε-viniferin
Stars
ASCII Name(2S,3R)-trans-epsilon-viniferin
DefinitionA stilbenoid that is the (2S,3R)-trans-stereoisomer of ε-viniferin, obtained by cyclodimerisation of trans-resveratrol.
Last Modified5 December 2013
Submittermwilliams
DownloadsMolfile
FormulaC28H22O6
Net Charge0
Average Mass454.478
Monoisotopic Mass454.14164
SMILESOc1ccc(/C=C/c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1
InChIInChI=1S/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H/b4-1+/t27-,28-/m1/s1
InChIKeyFQWLMRXWKZGLFI-VYEPLGKGSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3R)-trans-ε-viniferin (CHEBI:76140) has functional parent trans-resveratrol (CHEBI:45713)
(2S,3R)-trans-ε-viniferin (CHEBI:76140) is a 1-benzofurans (CHEBI:38830)
(2S,3R)-trans-ε-viniferin (CHEBI:76140) is a polyphenol (CHEBI:26195)
(2S,3R)-trans-ε-viniferin (CHEBI:76140) is a stilbenoid (CHEBI:26776)
(2S,3R)-trans-ε-viniferin (CHEBI:76140) is enantiomer of (2R,3S)-trans-ε-viniferin (CHEBI:76143)
Incoming Relation(s)
(2R,3S)-trans-ε-viniferin (CHEBI:76143) is enantiomer of (2S,3R)-trans-ε-viniferin (CHEBI:76140)
IUPAC Name 
5-{(2S,3R)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol
Registry NumbersSources
Reaxys:8659968Reaxys