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CHEBI:28170 - 3-Isochromanone

ChEBI IDCHEBI:28170
ChEBI Name3-Isochromanone
Stars
Secondary ChEBI IDsCHEBI:1563, CHEBI:20090
Last Modified16 July 2015
DownloadsMolfile
FormulaC9H8O2
Net Charge0
Average Mass148.161
Monoisotopic Mass148.05243
SMILESO=C1Cc2ccccc2CO1
InChIInChI=1S/C9H8O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-4H,5-6H2
InChIKeyILHLUZUMRJQEAH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Isochromanone (CHEBI:28170) is a 2-benzopyran (CHEBI:38444)
Synonyms  Source
3-IsochromanoneKEGG COMPOUND
3-isochromanoneChEBI
isochroman-3-oneChEBI
Manual XrefsDatabases
C07728KEGG COMPOUND
c0403UM-BBD
Registry NumbersSources
CAS:4385-35-7KEGG COMPOUND