EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:217224 - Setosol

ChEBI IDCHEBI:217224
ChEBI NameSetosol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16O5
Net Charge0
Average Mass276.288
Monoisotopic Mass276.09977
SMILESCOc1cc(O)cc2c(C)cc(O)c(O)c2oc(C)c1
InChIInChI=1S/C15H16O5/c1-8-4-13(17)14(18)15-12(8)7-10(16)6-11(19-3)5-9(2)20-15/h4-7,16-18H,1-3H3
InChIKeyMVWNYMTYKBWPHR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pleiochaeta setosa (ncbitaxon:487630) - DOI (10.1271/bbb.59.173)
ChEBI Ontology
Outgoing Relation(s)
Setosol (CHEBI:217224) is a aromatic ether (CHEBI:35618)
IUPAC Name 
4-methoxy-2,8-dimethyl-1-benzoxonine-6,10,11-triol