EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:5277 - gardenoside

ChEBI IDCHEBI:5277
ChEBI Namegardenoside
Stars
DefinitionA cyclopentapyran that is 7-deoxyloganin with a methyl and hydrogen replaced by hydroxy and hydroxymethyl groups at position 7.
Last Modified30 March 2015
DownloadsMolfile
FormulaC17H24O11
Net Charge0
Average Mass404.368
Monoisotopic Mass404.13186
SMILES[H][C@@]12[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)OC)[C@]1([H])C=C[C@]2(O)CO
InChIInChI=1S/C17H24O11/c1-25-14(23)8-5-26-15(10-7(8)2-3-17(10,24)6-19)28-16-13(22)12(21)11(20)9(4-18)27-16/h2-3,5,7,9-13,15-16,18-22,24H,4,6H2,1H3/t7-,9+,10-,11+,12-,13+,15+,16-,17-/m0/s1
InChIKeyXJMPAUZQVRGFRE-HPWCAOHFSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
gardenoside (CHEBI:5277) has functional parent 7-deoxyloganin (CHEBI:18370)
gardenoside (CHEBI:5277) has role metabolite (CHEBI:25212)
gardenoside (CHEBI:5277) is a cyclopentapyran (CHEBI:38606)
gardenoside (CHEBI:5277) is a enoate ester (CHEBI:51702)
gardenoside (CHEBI:5277) is a methyl ester (CHEBI:25248)
gardenoside (CHEBI:5277) is a monosaccharide derivative (CHEBI:63367)
gardenoside (CHEBI:5277) is a tertiary alcohol (CHEBI:26878)
gardenoside (CHEBI:5277) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
methyl (1R,4aR,7R,7aR)-1-(β-D-glucopyranosyloxy)-7-hydroxy-7-(hydroxymethyl)-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Manual XrefsDatabases
C09779KEGG COMPOUND
C00003081KNApSAcK
Registry NumbersSources
CAS:24512-62-7KEGG COMPOUND
CAS:24512-62-7ChemIDplus