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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
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.
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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.
View more via ChEBI Ontology
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
(2
S
)-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
View more database links
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.