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CHEBI:70197 - taxiresinol

ChEBI IDCHEBI:70197
ChEBI Nametaxiresinol
Stars
DefinitionA lignan that consists of tetrahydrofuran substituted by a 3,4-dihydroxyphenyl group at position 2, a hydroxymethyl group at position 3 and a 4-hydroxy-3-methoxybenzyl group at position 4. It has been isolated from Taxus yunnanensis.
Last Modified7 April 2017
DownloadsMolfile
FormulaC19H22O6
Net Charge0
Average Mass346.379
Monoisotopic Mass346.14164
SMILESCOc1cc(C[C@H]2CO[C@H](c3ccc(O)c(O)c3)[C@H]2CO)ccc1O
InChIInChI=1S/C19H22O6/c1-24-18-7-11(2-4-16(18)22)6-13-10-25-19(14(13)9-20)12-3-5-15(21)17(23)8-12/h2-5,7-8,13-14,19-23H,6,9-10H2,1H3/t13-,14-,19+/m0/s1
InChIKeySNZZAHRDXCGWEM-CKFHNAJUSA-N
Species of MetaboliteComponentSourceComments
Taxus yunnanensis (ncbitaxon:147275) xylem (BTO:0001468) PubMed (21138310) Previous component: wood; Aqueous extract of air-dried, powdered wood
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)
taxiresinol (CHEBI:70197) has role plant metabolite (CHEBI:76924)
taxiresinol (CHEBI:70197) is a guaiacols (CHEBI:134251)
taxiresinol (CHEBI:70197) is a lignan (CHEBI:25036)
taxiresinol (CHEBI:70197) is a oxolanes (CHEBI:26912)
taxiresinol (CHEBI:70197) is a polyphenol (CHEBI:26195)
taxiresinol (CHEBI:70197) is a tetrol (CHEBI:33573)
IUPAC Name 
4-[(2S,3R,4R)-4-(4-hydroxy-3-methoxybenzyl)-3-(hydroxymethyl)tetrahydrofuran-2-yl]benzene-1,2-diol
Registry NumbersSources
Reaxys:8230830Reaxys
Citations