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CHEBI:6750 - (+)-menthofuran

ChEBI IDCHEBI:6750
ChEBI Name(+)-menthofuran
Stars
DefinitionA menthofuran that is 4,5,6,7-tetrahydro-1-benzofuran substituted by methyl groups at positions 3 and 6 (the 6R-enantiomer).
Last Modified13 July 2015
DownloadsMolfile
FormulaC10H14O
Net Charge0
Average Mass150.221
Monoisotopic Mass150.10447
SMILESCc1coc2c1CC[C@@H](C)C2
InChIInChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyYGWKXXYGDYYFJU-SSDOTTSWSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
nematicide  A substance used to destroy pests of the phylum Nematoda (roundworms).
ChEBI Ontology
Outgoing Relation(s)
(+)-menthofuran (CHEBI:6750) is a menthofuran (CHEBI:50542)
(+)-menthofuran (CHEBI:6750) is enantiomer of (−)-menthofuran (CHEBI:50544)
Incoming Relation(s)
(−)-menthofuran (CHEBI:50544) is enantiomer of (+)-menthofuran (CHEBI:6750)
IUPAC Name 
(6R)-3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran
Synonyms  Source
MenthofuranKEGG COMPOUND
(+)-3,9-epoxy-p-mentha-3,8-dieneChemIDplus
(R)-4,5,6,7-tetrahydro-3,6-dimethylbenzofuranChemIDplus
(R)-MenthofuranKEGG COMPOUND
UniProt Name  Source
(R)-menthofuranUniProt
Manual XrefsDatabases
LMPR0102090020LIPID MAPS
C18025KEGG COMPOUND
Registry NumbersSources
Reaxys:6053324Reaxys
CAS:17957-94-7ChemIDplus