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CHEBI:76192 - quadrangularin A

ChEBI IDCHEBI:76192
ChEBI Namequadrangularin A
Stars
DefinitionAn indane-derived stilbenoid that is a homodimer obtained by cyclodimerisation of resveratrol.
Last Modified19 February 2014
Submittermwilliams
DownloadsMolfile
FormulaC28H22O6
Net Charge0
Average Mass454.478
Monoisotopic Mass454.14164
SMILESOc1ccc(/C=C2/c3cc(O)cc(O)c3[C@@H](c3ccc(O)cc3)[C@@H]2c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C28H22O6/c29-18-5-1-15(2-6-18)9-23-24-13-22(33)14-25(34)28(24)27(16-3-7-19(30)8-4-16)26(23)17-10-20(31)12-21(32)11-17/h1-14,26-27,29-34H/b23-9-/t26-,27+/m1/s1
InChIKeyBIQMSWPBPAKGSE-PBSLAQMISA-N
Wikipedia
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
quadrangularin A (CHEBI:76192) has functional parent resveratrol (CHEBI:27881)
quadrangularin A (CHEBI:76192) has role antioxidant (CHEBI:22586)
quadrangularin A (CHEBI:76192) has role plant metabolite (CHEBI:76924)
quadrangularin A (CHEBI:76192) is a indanes (CHEBI:46940)
quadrangularin A (CHEBI:76192) is a polyphenol (CHEBI:26195)
quadrangularin A (CHEBI:76192) is a stilbenoid (CHEBI:26776)
IUPAC Name 
(1E,2R,3R)-2-(3,5-dihydroxyphenyl)-1-(4-hydroxybenzylidene)-3-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-4,6-diol
Manual XrefsDatabases
Quadrangularin_AWikipedia
Registry NumbersSources
Reaxys:8370734Reaxys
Citations