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CHEBI:7020 - multifidol

ChEBI IDCHEBI:7020
ChEBI Namemultifidol
Stars
DefinitionA butanone that is the 2-methylbutanoyl derivative of phloroglucinol.
Last Modified3 August 2014
DownloadsMolfile
FormulaC11H14O4
Net Charge0
Average Mass210.229
Monoisotopic Mass210.08921
SMILESCC[C@H](C)C(=O)c1c(O)cc(O)cc1O
InChIInChI=1S/C11H14O4/c1-3-6(2)11(15)10-8(13)4-7(12)5-9(10)14/h4-6,12-14H,3H2,1-2H3/t6-/m0/s1
InChIKeyASABIRFQGVWRDC-LURJTMIESA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
multifidol (CHEBI:7020) has functional parent phloroglucinol (CHEBI:16204)
multifidol (CHEBI:7020) has role metabolite (CHEBI:25212)
multifidol (CHEBI:7020) is a benzenetriol (CHEBI:22707)
multifidol (CHEBI:7020) is a butanone (CHEBI:22951)
Incoming Relation(s)
multifidol glucoside (CHEBI:68339) has functional parent multifidol (CHEBI:7020)
IUPAC Name 
(2S)-2-methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one
Synonyms  Source
(S)-2-methyl-1-(2,4,6-trihydroxyphenyl)butan-1-oneChEBI
2-methylbutanoyl phloroglucinolChEBI
(S)-(+)-(2-methylbutyryl)phloroglucinolChEBI
Manual XrefsDatabases
C10709KEGG COMPOUND
C00002703KNApSAcK
Registry NumbersSources
Reaxys:5265259Reaxys
CAS:125074-06-8KEGG COMPOUND