CHEBI:38759 - isocoumarin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name isocoumarin
ChEBI ID CHEBI:38759
Definition The simplest member of the class of isocoumarins that is 1H-isochromene which is substituted by an oxo group at position 1.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Save molfile Download Molfile
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C9H6O2
Net Charge 0
Average Mass 146.14270
Monoisotopic Mass 146.037
InChI InChI=1S/C9H6O2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H
InChIKey IQZZFVDIZRWADY-UHFFFAOYSA-N
SMILES O=c1occc2ccccc12
ChEBI Ontology
Outgoing isocoumarin (CHEBI:38759) has parent hydride 1H-isochromene (CHEBI:36115)
isocoumarin (CHEBI:38759) is a isocoumarins (CHEBI:38758)
Incoming 3,4-dihydroisocoumarin (CHEBI:23745) has functional parent isocoumarin (CHEBI:38759)
mellein (CHEBI:38760) has functional parent isocoumarin (CHEBI:38759)
IUPAC Name
1H-isochromen-1-one
Synonyms Sources
1H-2-benzopyran-1-one ChEBI
3,4-Benzo-2-pyrone ChemIDplus
Database Link Database
Isocoumarin Wikipedia
View more database links
Registry Numbers Types Sources
114343 Reaxys Registry Number Reaxys
491-31-6 CAS Registry Number ChemIDplus
Last Modified
15 June 2015