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CHEBI:53645 - sugiresinol

ChEBI IDCHEBI:53645
ChEBI Namesugiresinol
Stars
DefinitionA norlignan that is an isomer of agatharesinol in which the dihydroxypentene side chain is cyclised.
Last Modified6 August 2013
Submitterzjosephs
DownloadsMolfile
FormulaC17H18O4
Net Charge0
Average Mass286.327
Monoisotopic Mass286.12051
SMILESOc1ccc([C@H]2C[C@@H](c3ccc(O)cc3)[C@H](O)CO2)cc1
InChIInChI=1S/C17H18O4/c18-13-5-1-11(2-6-13)15-9-17(21-10-16(15)20)12-3-7-14(19)8-4-12/h1-8,15-20H,9-10H2/t15-,16+,17+/m0/s1
InChIKeyJQRWWSPNQHLXDY-GVDBMIGSSA-N
Roles Classification
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)
sugiresinol (CHEBI:53645) has functional parent agatharesinol (CHEBI:53627)
sugiresinol (CHEBI:53645) is a norlignan (CHEBI:53629)
Incoming Relation(s)
hydroxysugiresinol (CHEBI:53646) has functional parent sugiresinol (CHEBI:53645)
IUPAC Name 
(1R)-1,5-anhydro-2,3-dideoxy-1,3-bis(4-hydroxyphenyl)-D-threo-pentitol
Synonyms  Source
sequirin AChEBI
(−)-sugiresinolChEBI
(3S)-tetrahydro-4α,6α-bis(4-hydroxyphenyl)-2H-pyran-3-olChEBI
sequirin-AChEBI
Registry NumbersSources
Reaxys:33909Reaxys
Citations