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CHEBI:53627 - agatharesinol

ChEBI IDCHEBI:53627
ChEBI Nameagatharesinol
Stars
DefinitionA major heartwood norlignan characterised by a core trans-3-p-hydroxyphenyl-1-phenylpropene structural unit.
Last Modified6 August 2013
Submitterzjosephs
DownloadsMolfile
FormulaC17H18O4
Net Charge0
Average Mass286.327
Monoisotopic Mass286.12051
SMILESOC[C@@H](O)[C@@H](/C=C/c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H18O4/c18-11-17(21)16(13-4-8-15(20)9-5-13)10-3-12-1-6-14(19)7-2-12/h1-10,16-21H,11H2/b10-3+/t16-,17+/m0/s1
InChIKeyDVUXXXYVVWRAIA-UDEVJOAWSA-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)
agatharesinol (CHEBI:53627) is a norlignan (CHEBI:53629)
Incoming Relation(s)
sequirin C (CHEBI:53644) has functional parent agatharesinol (CHEBI:53627)
sugiresinol (CHEBI:53645) has functional parent agatharesinol (CHEBI:53627)
IUPAC Name 
(2S,3S,4E)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol
Registry NumbersSources
Reaxys:2336768Reaxys
Citations