EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:6134 - Khellol glucoside

ChEBI IDCHEBI:6134
ChEBI NameKhellol glucoside
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC19H20O10
Net Charge0
Average Mass408.359
Monoisotopic Mass408.10565
SMILESCOc1c2ccoc2cc2oc(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(=O)c12
InChIInChI=1S/C19H20O10/c1-25-18-9-2-3-26-11(9)5-12-14(18)10(21)4-8(28-12)7-27-19-17(24)16(23)15(22)13(6-20)29-19/h2-5,13,15-17,19-20,22-24H,6-7H2,1H3/t13-,15-,16+,17-,19-/m1/s1
InChIKeySJRACCTZSAUMGO-WIMVFMHDSA-N
ChEBI Ontology
Outgoing Relation(s)
Khellol glucoside (CHEBI:6134) is a organic heterotricyclic compound (CHEBI:26979)
Khellol glucoside (CHEBI:6134) is a oxacycle (CHEBI:38104)
Synonyms  Source
Khellol glucosideKEGG COMPOUND
KhellosideKEGG COMPOUND
Manual XrefsDatabases
C09011KEGG COMPOUND
C00002432KNApSAcK
Registry NumbersSources
CAS:17226-75-4KEGG COMPOUND