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CHEBI:6117 - Kawain

ChEBI IDCHEBI:6117
ChEBI NameKawain
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC14H14O3
Net Charge0
Average Mass230.263
Monoisotopic Mass230.09429
SMILES[H][C@]1(/C=C/c2ccccc2)CC(OC)=CC(=O)O1
InChIInChI=1S/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3/b8-7+/t12-/m0/s1
InChIKeyXEAQIWGXBXCYFX-GUOLPTJISA-N
ChEBI Ontology
Outgoing Relation(s)
Kawain (CHEBI:6117) is a 2-pyranones (CHEBI:75885)
Kawain (CHEBI:6117) is a aromatic ether (CHEBI:35618)
Synonym  Source
KawainKEGG COMPOUND
Manual XrefsDatabases
C09947KEGG COMPOUND
D08096KEGG DRUG
C00003000KNApSAcK
Registry NumbersSources
CAS:500-64-1KEGG COMPOUND