CHEBI:7020 - multifidol

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ChEBI Name multifidol
ChEBI ID CHEBI:7020
Definition A butanone that is the 2-methylbutanoyl derivative of phloroglucinol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C11H14O4
Net Charge 0
Average Mass 210.22650
Monoisotopic Mass 210.08921
InChI InChI=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
InChIKey ASABIRFQGVWRDC-LURJTMIESA-N
SMILES CC[C@H](C)C(=O)c1c(O)cc(O)cc1O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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 multifidol glucoside (CHEBI:68339) has functional parent multifidol (CHEBI:7020)
IUPAC Name
(2S)-2-methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one
Synonyms Sources
(S)-(+)-(2-methylbutyryl)phloroglucinol ChEBI
(S)-2-methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one ChEBI
2-methylbutanoyl phloroglucinol ChEBI
Manual Xrefs Databases
C00002703 KNApSAcK
C10709 KEGG COMPOUND
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Registry Numbers Types Sources
125074-06-8 CAS Registry Number KEGG COMPOUND
5265259 Reaxys Registry Number Reaxys
Last Modified
04 August 2014
General Comment
2013-09-02 Phytochemistry(1989), 28(9), 2439 - 2441.