EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:177490 - 2,3-Dimethoxy-5-methyl-6-(3-methyl-2-buten-1-yl)-1,4-benzenediol

ChEBI IDCHEBI:177490
ChEBI Name2,3-Dimethoxy-5-methyl-6-(3-methyl-2-buten-1-yl)-1,4-benzenediol
Stars
Last Modified19 October 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O4
Net Charge0
Average Mass252.310
Monoisotopic Mass252.13616
SMILESCOc1c(O)c(C)c(CC=C(C)C)c(O)c1OC
InChIInChI=1S/C14H20O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6,15-16H,7H2,1-5H3
InChIKeyTVLSKGDBUQMDPR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
2,3-Dimethoxy-5-methyl-6-(3-methyl-2-buten-1-yl)-1,4-benzenediol (CHEBI:177490) is a ubiquinol (CHEBI:17976)
IUPAC Name 
2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)benzene-1,4-diol
Synonym  Source
a ubiquinolChEBI
UniProt Name  Source
ubiquinol-1UniProt
Manual XrefsDatabases
394877ChemSpider
HMDB0059661HMDB