CHEBI:6117 - Kawain

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Kawain
ChEBI ID CHEBI:6117
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C14H14O3
Net Charge 0
Average Mass 230.260
Monoisotopic Mass 230.09429
InChI InChI=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
InChIKey XEAQIWGXBXCYFX-GUOLPTJISA-N
SMILES COC1=CC(=O)O[C@H](C1)\C=C\c1ccccc1
ChEBI Ontology
Outgoing Kawain (CHEBI:6117) is a 2-pyranones (CHEBI:75885)
Kawain (CHEBI:6117) is a aromatic ether (CHEBI:35618)
Synonym Source
Kawain KEGG COMPOUND
Manual Xrefs Databases
C00003000 KNApSAcK
C09947 KEGG COMPOUND
D08096 KEGG DRUG
View more database links
Registry Number Type Source
500-64-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014