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CHEBI:186453 - Spinochalcone A

ChEBI IDCHEBI:186453
ChEBI NameSpinochalcone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O3
Net Charge0
Average Mass376.496
Monoisotopic Mass376.20384
SMILESCC(C)=CCc1cc(C(=O)/C=C/c2ccccc2)c(O)c(CC=C(C)C)c1O
InChIInChI=1S/C25H28O3/c1-17(2)10-13-20-16-22(23(26)15-12-19-8-6-5-7-9-19)25(28)21(24(20)27)14-11-18(3)4/h5-12,15-16,27-28H,13-14H2,1-4H3/b15-12+
InChIKeyITNWMWFHXYZVLD-NTCAYCPXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Spinochalcone A (CHEBI:186453) is a chalcones (CHEBI:23086)
IUPAC Name 
(E)-1-[2,4-dihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-3-phenylprop-2-en-1-one
Manual XrefsDatabases
LMPK12120010LIPID MAPS
9211364ChemSpider