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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:89526 - 2,4-dimethylfuran
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ChEBI Ontology
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ChEBI Name
2,4-dimethylfuran
ChEBI ID
CHEBI:89526
Definition
A member of the class of furans that is furan in which the hydrogens at positions 2 and 4 are replaced by methyl groups.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C6H8O
Net Charge
0
Average Mass
96.129
Monoisotopic Mass
96.05751
InChI
InChI=1S/C6H8O/c1-5-3-6(2)7-4-5/h3-4H,1-2H3
InChIKey
AABTWRKUKUPMJG-UHFFFAOYSA-N
SMILES
CC1=CC(C)=CO1
Metabolite of Species
Details
Olea europaea
(NCBI:txid4146)
See:
DOI
Homo sapiens
(NCBI:txid9606)
Found in saliva
(UBERON:0001836)
. See:
PubMed
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
Application
(s):
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2,4-dimethylfuran (
CHEBI:89526
)
has role
flavouring agent (
CHEBI:35617
)
2,4-dimethylfuran (
CHEBI:89526
)
has role
human metabolite (
CHEBI:77746
)
2,4-dimethylfuran (
CHEBI:89526
)
has role
plant metabolite (
CHEBI:76924
)
2,4-dimethylfuran (
CHEBI:89526
)
is a
furans (
CHEBI:24129
)
IUPAC Name
2,4-dimethylfuran
Synonym
Source
2,4-dimethyl-furan
HMDB
Manual Xrefs
Databases
18339
ChemSpider
FDB010951
FooDB
HMDB0032965
HMDB
View more database links
Registry Numbers
Types
Sources
3710-43-8
CAS Registry Number
NIST Chemistry WebBook
3710-43-8
CAS Registry Number
ChemIDplus
Citations
Types
Sources
15999184
PubMed citation
Europe PMC
22064148
PubMed citation
Europe PMC
23393625
PubMed citation
Europe PMC
24421258
PubMed citation
Europe PMC
IND44632293
Agricola citation
Europe PMC
Last Modified
17 June 2021