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CHEBI:53646 - hydroxysugiresinol

ChEBI IDCHEBI:53646
ChEBI Namehydroxysugiresinol
Stars
DefinitionA norlignan that is a derivative of sugiresinol in which the aromatic ring B has an additional hydroxy substituent.
Last Modified6 August 2013
Submitterzjosephs
DownloadsMolfile
FormulaC17H18O5
Net Charge0
Average Mass302.326
Monoisotopic Mass302.11542
SMILESOc1ccc([C@H]2C[C@@H](c3ccc(O)c(O)c3)[C@H](O)CO2)cc1
InChIInChI=1S/C17H18O5/c18-12-4-1-10(2-5-12)17-8-13(16(21)9-22-17)11-3-6-14(19)15(20)7-11/h1-7,13,16-21H,8-9H2/t13-,16+,17+/m0/s1
InChIKeyKTBMETYOQLNVNV-IAOVAPTHSA-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)
hydroxysugiresinol (CHEBI:53646) has functional parent sugiresinol (CHEBI:53645)
hydroxysugiresinol (CHEBI:53646) is a norlignan (CHEBI:53629)
IUPAC Name 
(1R)-1,5-anhydro-2,3-dideoxy-3-(3,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)-D-threo-pentitol
Synonyms  Source
sequirin BChEBI
4-[(2R)-3,4,5,6-tetrahydro-5alpha-hydroxy-2-(4-hydroxyphenyl)-2H-pyran-4beta-yl]-1,2-benzenediolChEBI
sequirin-BChEBI
Registry NumbersSources
Reaxys:7272673Reaxys
Citations