EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:204406 - Verticilatin

ChEBI IDCHEBI:204406
ChEBI NameVerticilatin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22O3
Net Charge0
Average Mass298.382
Monoisotopic Mass298.15689
SMILESCC(C)=CCc1c(C)cc(Oc2cc(C)cc(O)c2)cc1O
InChIInChI=1S/C19H22O3/c1-12(2)5-6-18-14(4)9-17(11-19(18)21)22-16-8-13(3)7-15(20)10-16/h5,7-11,20-21H,6H2,1-4H3
InChIKeyKIKUBWASRBSJNN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
[Paecilomyces verticillatus (ncbitaxon:397691) - PubMed (25295880)
ChEBI Ontology
Outgoing Relation(s)
Verticilatin (CHEBI:204406) is a aromatic ether (CHEBI:35618)
IUPAC Name 
5-(3-hydroxy-5-methylphenoxy)-3-methyl-2-(3-methylbut-2-enyl)phenol
Manual XrefsDatabases
78435630ChemSpider