CHEBI:38759 - isocoumarin

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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 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C9H6O2 Net Charge 0 Average Mass 146.14270 Monoisotopic Mass 146.03678 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 Manual Xref 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