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CHEBI:1995 - 5,6-Dehydrokawain

ChEBI IDCHEBI:1995
ChEBI Name5,6-Dehydrokawain
Stars
Last Modified8 January 2016
DownloadsMolfile
FormulaC14H12O3
Net Charge0
Average Mass228.247
Monoisotopic Mass228.07864
SMILESCOc1cc(/C=C/c2ccccc2)oc(=O)c1
InChIInChI=1S/C14H12O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+
InChIKeyDKKJNZYHGRUXBS-BQYQJAHWSA-N
ChEBI Ontology
Outgoing Relation(s)
5,6-Dehydrokawain (CHEBI:1995) is a 2-pyranones (CHEBI:75885)
5,6-Dehydrokawain (CHEBI:1995) is a aromatic ether (CHEBI:35618)
Synonym  Source
5,6-DehydrokawainKEGG COMPOUND
Manual XrefsDatabases
C09925KEGG COMPOUND
C00002987KNApSAcK
HMDB0034270HMDB
Registry NumbersSources
CAS:1952-41-6KEGG COMPOUND