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CHEBI:185117 - Pongagallone B

ChEBI IDCHEBI:185117
ChEBI NamePongagallone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24O6
Net Charge0
Average Mass396.439
Monoisotopic Mass396.15729
SMILESCOc1cc(OC)c(C(=O)/C=C(\O)c2ccc3c(c2)OCO3)cc1CC=C(C)C
InChIInChI=1S/C23H24O6/c1-14(2)5-6-16-9-17(22(27-4)12-21(16)26-3)19(25)11-18(24)15-7-8-20-23(10-15)29-13-28-20/h5,7-12,24H,6,13H2,1-4H3/b18-11-
InChIKeySLBZGVSJTQHLIP-WQRHYEAKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Pongagallone B (CHEBI:185117) is a chalcones (CHEBI:23086)
IUPAC Name 
(Z)-3-(1,3-benzodioxol-5-yl)-1-[2,4-dimethoxy-5-(3-methylbut-2-enyl)phenyl]-3-hydroxyprop-2-en-1-one
Manual XrefsDatabases
LMPK12120380LIPID MAPS
10306235ChemSpider