EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:175810 - Pimentol

ChEBI IDCHEBI:175810
ChEBI NamePimentol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26O12
Net Charge0
Average Mass494.449
Monoisotopic Mass494.14243
SMILESC=CCc1cc(OC)c(O)c(O[C@@H]2O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)c1
InChIInChI=1S/C23H26O12/c1-3-4-10-5-14(32-2)18(27)15(6-10)34-23-21(30)20(29)19(28)16(35-23)9-33-22(31)11-7-12(24)17(26)13(25)8-11/h3,5-8,16,19-21,23-30H,1,4,9H2,2H3/t16-,19-,20+,21-,23-/m1/s1
InChIKeyLFQREKVEOMIWQF-JTLUYSSBSA-N
ChEBI Ontology
Outgoing Relation(s)
Pimentol (CHEBI:175810) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxy-3-methoxy-5-prop-2-enylphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
8093159ChemSpider
Registry NumbersSources
CAS:141913-95-3ChemIDplus