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CHEBI:132793 - albiflorin

ChEBI IDCHEBI:132793
ChEBI Namealbiflorin
Stars
DefinitionA monoterpene glycoside with formula C23H28O11, originally isolated from the roots of Paeonia lactiflora.
Last Modified20 January 2017
Submitterliuqingping
DownloadsMolfile
FormulaC23H28O11
Net Charge0
Average Mass480.466
Monoisotopic Mass480.16316
SMILES[H][C@@]12C[C@@]3(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]1(COC(=O)c1ccccc1)C(=O)O[C@@]3(C)C[C@H]2O
InChIInChI=1S/C23H28O11/c1-21-8-13(25)12-7-23(21,33-19-17(28)16(27)15(26)14(9-24)32-19)22(12,20(30)34-21)10-31-18(29)11-5-3-2-4-6-11/h2-6,12-17,19,24-28H,7-10H2,1H3/t12-,13+,14+,15+,16-,17+,19-,21-,22-,23-/m0/s1
InChIKeyQQUHMASGPODSIW-ICECTASOSA-N
Species of MetaboliteComponentSourceComments
Paeonia lactiflora (ncbitaxon:35924) root (BTO:0001188) PubMed (27429639)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
ChEBI Ontology
Outgoing Relation(s)
albiflorin (CHEBI:132793) has role neuroprotective agent (CHEBI:63726)
albiflorin (CHEBI:132793) has role plant metabolite (CHEBI:76924)
albiflorin (CHEBI:132793) is a benzoate ester (CHEBI:36054)
albiflorin (CHEBI:132793) is a bridged compound (CHEBI:35990)
albiflorin (CHEBI:132793) is a monoterpene glycoside (CHEBI:72293)
albiflorin (CHEBI:132793) is a secondary alcohol (CHEBI:35681)
albiflorin (CHEBI:132793) is a β-D-glucoside (CHEBI:22798)
albiflorin (CHEBI:132793) is a γ-lactone (CHEBI:37581)
Incoming Relation(s)
6'-O-galloylalbiflorin (CHEBI:132816) has functional parent albiflorin (CHEBI:132793)
IUPAC Name 
[(1R,3R,4R,6S,9S)-1-(β-D-glucopyranosyloxy)-4-hydroxy-6-methyl-8-oxo-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]methyl benzoate
Manual XrefsDatabases
C17457KEGG COMPOUND
C00033623KNApSAcK
Registry NumbersSources
Reaxys:18602070Reaxys
CAS:39011-90-0KEGG COMPOUND
CAS:39011-90-0ChemIDplus
Citations