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CHEBI:169008 - 7-Ethoxy-4-methyl-2H-1-benzopyran-2-one

ChEBI IDCHEBI:169008
ChEBI Name7-Ethoxy-4-methyl-2H-1-benzopyran-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12O3
Net Charge0
Average Mass204.225
Monoisotopic Mass204.07864
SMILESCCOc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C12H12O3/c1-3-14-9-4-5-10-8(2)6-12(13)15-11(10)7-9/h4-7H,3H2,1-2H3
InChIKeyNKRISXMDKXBVRJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
7-Ethoxy-4-methyl-2H-1-benzopyran-2-one (CHEBI:169008) is a coumarins (CHEBI:23403)
IUPAC Name 
7-ethoxy-4-methylchromen-2-one
Manual XrefsDatabases
HMDB0035095HMDB
59963ChemSpider
Registry NumbersSources
CAS:87-05-8ChemIDplus