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CHEBI:174264 - 3-(1,1-Dimethylallyl)herniarin

Default Structure
ChEBI IDCHEBI:174264
ChEBI Name3-(1,1-Dimethylallyl)herniarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16O3
Net Charge0
Average Mass244.290
Monoisotopic Mass244.10994
SMILESC=CC(C)(C)c1cc2ccc(OC)cc2oc1=O
InChIInChI=1S/C15H16O3/c1-5-15(2,3)12-8-10-6-7-11(17-4)9-13(10)18-14(12)16/h5-9H,1H2,2-4H3
InChIKeyBTXKAWICQLJRID-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(1,1-Dimethylallyl)herniarin (CHEBI:174264) is a coumarins (CHEBI:23403)
IUPAC Name 
7-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one
Manual XrefsDatabases
158828ChemSpider
HMDB0030731HMDB
Registry NumbersSources
CAS:20958-63-8ChemIDplus