EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209835 - 2,3,4-trihydroxy-6-(hydroxymethyl)-5-methylbenzylacohol

Default Structure
ChEBI IDCHEBI:209835
ChEBI Name2,3,4-trihydroxy-6-(hydroxymethyl)-5-methylbenzylacohol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H12O5
Net Charge0
Average Mass200.190
Monoisotopic Mass200.06847
SMILESCc1c(O)c(O)c(O)c(CO)c1CO
InChIInChI=1S/C9H12O5/c1-4-5(2-10)6(3-11)8(13)9(14)7(4)12/h10-14H,2-3H2,1H3
InChIKeyVELVFVFRNPXMHS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - PubMed (11372786)
ChEBI Ontology
Outgoing Relation(s)
2,3,4-trihydroxy-6-(hydroxymethyl)-5-methylbenzylacohol (CHEBI:209835) is a benzenetriol (CHEBI:22707)
IUPAC Name 
4,5-bis(hydroxymethyl)-6-methylbenzene-1,2,3-triol
Manual XrefsDatabases
8165954ChemSpider