EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:200531 - 6,7-dimethoxy-3-methyl-5-(3-methylbut-2-en-1-yl)-1H-isochromene

ChEBI IDCHEBI:200531
ChEBI Name6,7-dimethoxy-3-methyl-5-(3-methylbut-2-en-1-yl)-1H-isochromene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O3
Net Charge0
Average Mass274.360
Monoisotopic Mass274.15689
SMILESCOc1cc2c(c(CC=C(C)C)c1OC)C=C(C)OC2
InChIInChI=1S/C17H22O3/c1-11(2)6-7-14-15-8-12(3)20-10-13(15)9-16(18-4)17(14)19-5/h6,8-9H,7,10H2,1-5H3
InChIKeyDMQOPCMQYIJMRB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - DOI (10.3987/com-15-13312)
ChEBI Ontology
Outgoing Relation(s)
6,7-dimethoxy-3-methyl-5-(3-methylbut-2-en-1-yl)-1H-isochromene (CHEBI:200531) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
6,7-dimethoxy-3-methyl-5-(3-methylbut-2-enyl)-1H-isochromene
Manual XrefsDatabases
78435589ChemSpider