EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:214677 - Aspergillether B

ChEBI IDCHEBI:214677
ChEBI NameAspergillether B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O3
Net Charge0
Average Mass258.317
Monoisotopic Mass258.12559
SMILESCc1cc(C)c(Oc2c(C)cc(O)cc2C)c(O)c1
InChIInChI=1S/C16H18O3/c1-9-5-10(2)16(14(18)6-9)19-15-11(3)7-13(17)8-12(15)4/h5-8,17-18H,1-4H3
InChIKeyKHZPKHNLWSWCKL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - DOI (10.1016/j.phytol.2019.12.003)
ChEBI Ontology
Outgoing Relation(s)
Aspergillether B (CHEBI:214677) is a aromatic ether (CHEBI:35618)
IUPAC Name 
2-(4-hydroxy-2,6-dimethylphenoxy)-3,5-dimethylphenol