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CHEBI:185124 - 2',4',5''-Trihydroxy-3',6'',6''-trimetylpyrano[2'',3'':6',5']dihydrochalcone

ChEBI IDCHEBI:185124
ChEBI Name2',4',5''-Trihydroxy-3',6'',6''-trimetylpyrano[2'',3'':6',5']dihydrochalcone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O5
Net Charge0
Average Mass356.418
Monoisotopic Mass356.16237
SMILESCc1c(O)c2c(c(C(=O)CCc3ccccc3)c1O)OC(C)(C)[C@@H](O)C2
InChIInChI=1S/C21H24O5/c1-12-18(24)14-11-16(23)21(2,3)26-20(14)17(19(12)25)15(22)10-9-13-7-5-4-6-8-13/h4-8,16,23-25H,9-11H2,1-3H3/t16-/m0/s1
InChIKeyBAHXHQFEFUBNER-INIZCTEOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
2',4',5''-Trihydroxy-3',6'',6''-trimetylpyrano[2'',3'':6',5']dihydrochalcone (CHEBI:185124) is a chalcones (CHEBI:23086)
IUPAC Name 
3-phenyl-1-[(3S)-3,5,7-trihydroxy-2,2,6-trimethyl-3,4-dihydrochromen-8-yl]propan-1-one
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24846079ChemSpider