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CHEBI:67651 - (+)-5'-methoxylariciresinol

ChEBI IDCHEBI:67651
ChEBI Name(+)-5'-methoxylariciresinol
Stars
DefinitionA lignan that is (+)-lariciresinol substituted by a methoxy group at position 5'. It has been isolated from the stems of Sinocalamus affinis.
Last Modified10 October 2014
DownloadsMolfile
FormulaC21H26O7
Net Charge0
Average Mass390.432
Monoisotopic Mass390.16785
SMILESCOc1cc(C[C@H]2CO[C@H](c3cc(OC)c(O)c(OC)c3)[C@H]2CO)ccc1O
InChIInChI=1S/C21H26O7/c1-25-17-7-12(4-5-16(17)23)6-14-11-28-21(15(14)10-22)13-8-18(26-2)20(24)19(9-13)27-3/h4-5,7-9,14-15,21-24H,6,10-11H2,1-3H3/t14-,15-,21+/m0/s1
InChIKeyCRMXIJILTLLGMR-VFCRVFHLSA-N
Species of MetaboliteComponentSourceComments
Sinocalamus affinis (IPNI:421970-1) stem (BTO:0001300) PubMed (21469695) 95% Ethanolic extract of skin-removed, air-dried, powdered stems.
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)
(+)-5'-methoxylariciresinol (CHEBI:67651) has functional parent (+)-lariciresinol (CHEBI:67246)
(+)-5'-methoxylariciresinol (CHEBI:67651) has role plant metabolite (CHEBI:76924)
(+)-5'-methoxylariciresinol (CHEBI:67651) is a dimethoxybenzene (CHEBI:51681)
(+)-5'-methoxylariciresinol (CHEBI:67651) is a lignan (CHEBI:25036)
(+)-5'-methoxylariciresinol (CHEBI:67651) is a oxolanes (CHEBI:26912)
(+)-5'-methoxylariciresinol (CHEBI:67651) is a phenols (CHEBI:33853)
IUPAC Name 
4-[(2S,3R,4R)-4-(4-hydroxy-3-methoxybenzyl)-3-(hydroxymethyl)tetrahydrofuran-2-yl]-2,6-dimethoxyphenol
Registry NumbersSources
Reaxys:9440218Reaxys
Citations