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CHEBI:185620 - Piperaduncin A

ChEBI IDCHEBI:185620
ChEBI NamePiperaduncin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H30O7
Net Charge0
Average Mass490.552
Monoisotopic Mass490.19915
SMILESCOC(=O)c1ccc(O)c(C(C=C(C)C)c2c(OC)cc(O)c(C(=O)CCc3ccccc3)c2O)c1
InChIInChI=1S/C29H30O7/c1-17(2)14-21(20-15-19(29(34)36-4)11-13-22(20)30)26-25(35-3)16-24(32)27(28(26)33)23(31)12-10-18-8-6-5-7-9-18/h5-9,11,13-16,21,30,32-33H,10,12H2,1-4H3
InChIKeyUWDJCYWVPNETPR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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)
Piperaduncin A (CHEBI:185620) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
methyl 3-[1-[2,4-dihydroxy-6-methoxy-3-(3-phenylpropanoyl)phenyl]-3-methylbut-2-enyl]-4-hydroxybenzoate
Manual XrefsDatabases
8656132ChemSpider
LMPK12120474LIPID MAPS