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CHEBI:186143 - Sophoradin

ChEBI IDCHEBI:186143
ChEBI NameSophoradin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H36O4
Net Charge0
Average Mass460.614
Monoisotopic Mass460.26136
SMILESCC(C)=CCc1cc(/C=C/C(=O)c2ccc(O)c(CC=C(C)C)c2O)cc(CC=C(C)C)c1O
InChIInChI=1S/C30H36O4/c1-19(2)7-11-23-17-22(18-24(29(23)33)12-8-20(3)4)10-15-27(31)26-14-16-28(32)25(30(26)34)13-9-21(5)6/h7-10,14-18,32-34H,11-13H2,1-6H3/b15-10+
InChIKeyYAPAFDNQABLIIN-XNTDXEJSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Sophoradin (CHEBI:186143) is a chalcones (CHEBI:23086)
IUPAC Name 
(E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
Manual XrefsDatabases
LMPK12120050LIPID MAPS
4479146ChemSpider