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CHEBI:174616 - 3-(1,1-Dimethyl-2-propenyl)-7,8-dimethoxy-2H-1-benzopyran-2-one

ChEBI IDCHEBI:174616
ChEBI Name3-(1,1-Dimethyl-2-propenyl)-7,8-dimethoxy-2H-1-benzopyran-2-one
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O4
Net Charge0
Average Mass274.316
Monoisotopic Mass274.12051
SMILESC=CC(C)(C)c1cc2ccc(OC)c(OC)c2oc1=O
InChIInChI=1S/C16H18O4/c1-6-16(2,3)11-9-10-7-8-12(18-4)14(19-5)13(10)20-15(11)17/h6-9H,1H2,2-5H3
InChIKeyYSFZHXKUZLVBRX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(1,1-Dimethyl-2-propenyl)-7,8-dimethoxy-2H-1-benzopyran-2-one (CHEBI:174616) is a coumarins (CHEBI:23403)
IUPAC Name 
7,8-dimethoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one
Manual XrefsDatabases
HMDB0033921HMDB
10294194ChemSpider