EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:214355 - (1E,5E)-1-[6-(2,3-dihydroxy-3-methylbutyl)-3-hydroxy-2-(hydroxymethyl)phenyl]undeca-1,5-diene-3,4-diol

ChEBI IDCHEBI:214355
ChEBI Name(1E,5E)-1-[6-(2,3-dihydroxy-3-methylbutyl)-3-hydroxy-2-(hydroxymethyl)phenyl]undeca-1,5-diene-3,4-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H36O6
Net Charge0
Average Mass408.535
Monoisotopic Mass408.25119
SMILESCCCCC/C=C/C(O)C(O)/C=C/c1c(CC(O)C(C)(C)O)ccc(O)c1CO
InChIInChI=1S/C23H36O6/c1-4-5-6-7-8-9-20(26)21(27)13-11-17-16(14-22(28)23(2,3)29)10-12-19(25)18(17)15-24/h8-13,20-22,24-29H,4-7,14-15H2,1-3H3/b9-8+,13-11+
InChIKeyYGAOKHUBSRHQKB-VKTMSVCMSA-N
Species of MetaboliteComponentSourceComments
Menisporopsis (ncbitaxon:752603) - PubMed (17067151)
ChEBI Ontology
Outgoing Relation(s)
(1E,5E)-1-[6-(2,3-dihydroxy-3-methylbutyl)-3-hydroxy-2-(hydroxymethyl)phenyl]undeca-1,5-diene-3,4-diol (CHEBI:214355) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
(1E,5E)-1-[6-(2,3-dihydroxy-3-methylbutyl)-3-hydroxy-2-(hydroxymethyl)phenyl]undeca-1,5-diene-3,4-diol
Manual XrefsDatabases
17250125ChemSpider