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CHEBI:76139 - (−)-cis-ε-viniferin

ChEBI IDCHEBI:76139
ChEBI Name(−)-cis-ε-viniferin
Stars
ASCII Name(-)-cis-epsilon-viniferin
DefinitionA stilbenoid that is the (−)-cis-stereoisomer of ε-viniferin, obtained by cyclodimerisation of cis-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-HQAJZZHBSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(−)-cis-ε-viniferin (CHEBI:76139) has functional parent cis-resveratrol (CHEBI:36002)
(−)-cis-ε-viniferin (CHEBI:76139) has role metabolite (CHEBI:25212)
(−)-cis-ε-viniferin (CHEBI:76139) is a 1-benzofurans (CHEBI:38830)
(−)-cis-ε-viniferin (CHEBI:76139) is a polyphenol (CHEBI:26195)
(−)-cis-ε-viniferin (CHEBI:76139) is a stilbenoid (CHEBI:26776)
(−)-cis-ε-viniferin (CHEBI:76139) is enantiomer of (+)-cis-ε-viniferin (CHEBI:76142)
Incoming Relation(s)
(+)-cis-ε-viniferin (CHEBI:76142) is enantiomer of (−)-cis-ε-viniferin (CHEBI:76139)
IUPAC Name 
5-{(2R,3R)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol
Registry NumbersSources
Reaxys:9740329Reaxys