EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:204598 - 4-methoxy-3,6-diphenylcyclohexa-3,5-diene-1,2-dione

ChEBI IDCHEBI:204598
ChEBI Name4-methoxy-3,6-diphenylcyclohexa-3,5-diene-1,2-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H14O3
Net Charge0
Average Mass290.318
Monoisotopic Mass290.09429
SMILESCOC1=C(c2ccccc2)C(=O)C(=O)C(c2ccccc2)=C1
InChIInChI=1S/C19H14O3/c1-22-16-12-15(13-8-4-2-5-9-13)18(20)19(21)17(16)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyXMLCMVMUHPGOOQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phoma (ncbitaxon:37463) - PubMed (16643061)
ChEBI Ontology
Outgoing Relation(s)
4-methoxy-3,6-diphenylcyclohexa-3,5-diene-1,2-dione (CHEBI:204598) is a benzoquinones (CHEBI:22729)
4-methoxy-3,6-diphenylcyclohexa-3,5-diene-1,2-dione (CHEBI:204598) is a orthoquinones (CHEBI:25622)
IUPAC Name 
4-methoxy-3,6-diphenylcyclohexa-3,5-diene-1,2-dione
Manual XrefsDatabases
9769232ChemSpider