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CHEBI:563586 - 6-methylcoumarin

ChEBI IDCHEBI:563586
ChEBI Name6-methylcoumarin
Stars
DefinitionA member of the class of coumarins that is coumarin in which the hydrogen at position 6 is replaced by a methyl group.
Last Modified17 February 2017
DownloadsMolfile
FormulaC10H8O2
Net Charge0
Average Mass160.172
Monoisotopic Mass160.05243
SMILESCc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C10H8O2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3
InChIKeyFXFYOPQLGGEACP-UHFFFAOYSA-N
Roles Classification
Biological Role:
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
Application:
fragrance  A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
ChEBI Ontology
Outgoing Relation(s)
6-methylcoumarin (CHEBI:563586) has role allergen (CHEBI:50904)
6-methylcoumarin (CHEBI:563586) has role fragrance (CHEBI:48318)
6-methylcoumarin (CHEBI:563586) is a coumarins (CHEBI:23403)
IUPAC Name 
6-methyl-2H-chromen-2-one
Synonyms  Source
6-methyl-2H-1-benzopyran-2-oneChEBI
Methyl coumarinChemIDplus
6-Methyl-cis-O-coumarinic lactoneChemIDplus
6-MethylbenzopyroneChemIDplus
6-Methyl-1,2-benzopyroneChemIDplus
5-Methyl-2-hydroxyphenylpropenoic acid lactoneChemIDplus
Manual XrefsDatabases
HMDB0032394HMDB
Registry NumbersSources
Reaxys:4222Reaxys
CAS:92-48-8ChemIDplus
CAS:92-48-8NIST Chemistry WebBook
Citations