EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:204594 - 2,5-dihydroxy-3-phenyl-6-(3,4,5-trihydroxyphenyl)-1,4-benzoquinone

Default Structure
ChEBI IDCHEBI:204594
ChEBI Name2,5-dihydroxy-3-phenyl-6-(3,4,5-trihydroxyphenyl)-1,4-benzoquinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H12O7
Net Charge0
Average Mass340.287
Monoisotopic Mass340.05830
SMILESO=C1C(O)=C(c2cc(O)c(O)c(O)c2)C(=O)C(O)=C1c1ccccc1
InChIInChI=1S/C18H12O7/c19-10-6-9(7-11(20)14(10)21)13-17(24)15(22)12(16(23)18(13)25)8-4-2-1-3-5-8/h1-7,19-22,25H
InChIKeyOZTXUNBXAHGFHP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Emericellopsis fimetaria (ncbitaxon:327576) - PubMed (15787429)
ChEBI Ontology
Outgoing Relation(s)
2,5-dihydroxy-3-phenyl-6-(3,4,5-trihydroxyphenyl)-1,4-benzoquinone (CHEBI:204594) is a benzenetriol (CHEBI:22707)
IUPAC Name 
2,5-dihydroxy-3-phenyl-6-(3,4,5-trihydroxyphenyl)cyclohexa-2,5-diene-1,4-dione
Manual XrefsDatabases
10216975ChemSpider