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CHEBI:186344 - 8-Acetoxy-4'-methoxypinoresinol

ChEBI IDCHEBI:186344
ChEBI Name8-Acetoxy-4'-methoxypinoresinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26O8
Net Charge0
Average Mass430.453
Monoisotopic Mass430.16277
SMILESCOc1cc(C2OCC3C(c4ccc(OC)c(OC)c4)OCC23OC(C)=O)ccc1O
InChIInChI=1S/C23H26O8/c1-13(24)31-23-12-30-21(14-6-8-18(26-2)20(9-14)28-4)16(23)11-29-22(23)15-5-7-17(25)19(10-15)27-3/h5-10,16,21-22,25H,11-12H2,1-4H3
InChIKeyZVILPMKYRJCFAE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
8-Acetoxy-4'-methoxypinoresinol (CHEBI:186344) is a lignan (CHEBI:25036)
IUPAC Name 
[6-(3,4-dimethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-uro[3,4-c]uran-3a-yl] acetate
Manual XrefsDatabases
35013575ChemSpider
HMDB0033277HMDB