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CHEBI:91200 - ficusequilignan A

ChEBI IDCHEBI:91200
ChEBI Nameficusequilignan A
Stars
DefinitionA guaiacyl lignin that is medioresinol in which one of the phenolic hydrogens is replaced by a guaiacylglycerol group. It is found in Arabidopsis thaliana.
Last Modified14 July 2016
Submittermwilliams
DownloadsMolfile
FormulaC31H36O11
Net Charge0
Average Mass584.618
Monoisotopic Mass584.22576
SMILESCOc1cc(C(O)C(CO)Oc2ccc(C3OCC4C(c5cc(OC)c(O)c(OC)c5)OCC34)cc2OC)ccc1O
InChIInChI=1S/C31H36O11/c1-36-23-9-16(5-7-21(23)33)28(34)27(13-32)42-22-8-6-17(10-24(22)37-2)30-19-14-41-31(20(19)15-40-30)18-11-25(38-3)29(35)26(12-18)39-4/h5-12,19-20,27-28,30-35H,13-15H2,1-4H3
InChIKeyPFZFCRCFYYFTPE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702)
root (BTO:0001188) MetaboLights (MTBLS160)
root (BTO:0001188) PubMed (25457500)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
ficusequilignan A (CHEBI:91200) has functional parent guaiacylglycerol (CHEBI:53663)
ficusequilignan A (CHEBI:91200) has role plant metabolite (CHEBI:76924)
ficusequilignan A (CHEBI:91200) is a dimethoxybenzene (CHEBI:51681)
ficusequilignan A (CHEBI:91200) is a furofuran (CHEBI:47790)
ficusequilignan A (CHEBI:91200) is a guaiacyl lignin (CHEBI:64475)
ficusequilignan A (CHEBI:91200) is a polyphenol (CHEBI:26195)
ficusequilignan A (CHEBI:91200) is a primary alcohol (CHEBI:15734)
ficusequilignan A (CHEBI:91200) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
2-{4-[4-(4-hydroxy-3,5-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenoxy}-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
Synonyms  Source
G(8-O-4)G(8-8)SChEBI
guaiacylglycerol β-medioresinol etherChEBI
Registry NumbersSources
Reaxys:8814167Reaxys
Citations