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CHEBI:86593 - buddlenol E

ChEBI IDCHEBI:86593
ChEBI Namebuddlenol E
Stars
DefinitionA lignan isolated from the seeds of Euryale ferox.
Last Modified7 April 2017
DownloadsMolfile
FormulaC31H36O11
Net Charge0
Average Mass584.618
Monoisotopic Mass584.22576
SMILESCOc1cc(C(O)C(CO)Oc2c(OC)cc(C3OCC4C(c5ccc(O)c(OC)c5)OCC34)cc2OC)ccc1O
InChIInChI=1S/C31H36O11/c1-36-23-9-16(5-7-21(23)33)28(35)27(13-32)42-31-25(38-3)11-18(12-26(31)39-4)30-20-15-40-29(19(20)14-41-30)17-6-8-22(34)24(10-17)37-2/h5-12,19-20,27-30,32-35H,13-15H2,1-4H3
InChIKeyDVTIDVKFFJRCAB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Euryale ferox (ncbitaxon:4414) seed (BTO:0001226) PubMed (21280632)
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
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)
buddlenol E (CHEBI:86593) has role antioxidant (CHEBI:22586)
buddlenol E (CHEBI:86593) has role plant metabolite (CHEBI:76924)
buddlenol E (CHEBI:86593) is a guaiacols (CHEBI:134251)
buddlenol E (CHEBI:86593) is a lignan (CHEBI:25036)
IUPAC Name 
1-(4-hydroxy-3-methoxyphenyl)-2-{4-[4-(4-hydroxy-3-methoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}propane-1,3-diol
Synonym  Source
G(8-O-4)S(8-8)GChEBI
Registry NumbersSources
Reaxys:6553466Reaxys
Citations