CHEBI:50542 - menthofuran

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ChEBI Name menthofuran
ChEBI ID CHEBI:50542
Definition A monoterpenoid that is 4,5,6,7-tetrahydro-1-benzofuran substituted by methyl groups at positions 3 and 6.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C10H14O
Net Charge 0
Average Mass 150.21760
Monoisotopic Mass 150.104
InChI InChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3
InChIKey YGWKXXYGDYYFJU-UHFFFAOYSA-N
SMILES CC1CCc2c(C)coc2C1
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application(s): nematicide
A substance used to destroy pests of the phylum Nematoda (roundworms).
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ChEBI Ontology
Outgoing menthofuran (CHEBI:50542) has role nematicide (CHEBI:25491)
menthofuran (CHEBI:50542) has role plant metabolite (CHEBI:76924)
menthofuran (CHEBI:50542) is a 1-benzofurans (CHEBI:38830)
menthofuran (CHEBI:50542) is a monoterpenoid (CHEBI:25409)
Incoming (−)-menthofuran (CHEBI:50544) is a menthofuran (CHEBI:50542)
(+)-menthofuran (CHEBI:6750) is a menthofuran (CHEBI:50542)
IUPAC Name
3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran
Synonyms Sources
3,9-epoxy-p-mentha-3,8-diene NIST Chemistry WebBook
4,5,6,7-tetrahydro-3,6-dimethylbenzofuran ChemIDplus
4,5,6,7-tetrahydro-3,6-dimethylcoumarone ChemIDplus
Manual Xrefs Databases
C00003049 KNApSAcK
C09868 KEGG COMPOUND
Menthofuran Wikipedia
View more database links
Registry Numbers Types Sources
112934 Reaxys Registry Number Reaxys
112934 Beilstein Registry Number Beilstein
494-90-6 CAS Registry Number ChemIDplus
494-90-6 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
18044925 PubMed citation Europe PMC
23199997 PubMed citation Europe PMC
24050256 PubMed citation Europe PMC
Last Modified
23 October 2015