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CHEBI:186218 - Spinochalcone C

ChEBI IDCHEBI:186218
ChEBI NameSpinochalcone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26O3
Net Charge0
Average Mass374.480
Monoisotopic Mass374.18819
SMILESCC(C)=CCc1c(O)c(C(=O)/C=C/c2ccccc2)cc2c1OC(C)(C)C=C2
InChIInChI=1S/C25H26O3/c1-17(2)10-12-20-23(27)21(16-19-14-15-25(3,4)28-24(19)20)22(26)13-11-18-8-6-5-7-9-18/h5-11,13-16,27H,12H2,1-4H3/b13-11+
InChIKeyUKLAAWWFUMSUTQ-ACCUITESSA-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 C (CHEBI:186218) is a chalcones (CHEBI:23086)
IUPAC Name 
(E)-1-[7-hydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]-3-phenylprop-2-en-1-one
Manual XrefsDatabases
LMPK12120014LIPID MAPS
24845860ChemSpider